1-ethyl-6-methyl-2-{[2-(prop-2-en-1-yl)isoquinolin-1(2H)-ylidene]methyl}quinolin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-ethyl-6-methyl-2-{[2-(prop-2-en-1-yl)isoquinolin-1(2H)-ylidene]methyl}quinolin-1-ium--bromide (1/1)
1-ethyl-6-methyl-2-{[2-(prop-2-en-1-yl)isoquinolin-1(2H)-ylidene]methyl}quinolin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 7165-0683 |
| Compound Name: | 1-ethyl-6-methyl-2-{[2-(prop-2-en-1-yl)isoquinolin-1(2H)-ylidene]methyl}quinolin-1-ium--bromide (1/1) |
| Molecular Weight: | 433.39 |
| Molecular Formula: | C25 H25 N2 |
| Salt: | Br- |
| Smiles: | CC[n+]1c(/C=C2/c3ccccc3C=CN2CC=C)ccc2cc(C)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.126 |
| logD: | 6.126 |
| logSw: | -6.1053 |
| Polar surface area: | 1.3386 |
| InChI Key: | RCQCEXZCSVYSAH-UHFFFAOYSA-N |