ethyl 4-(cyclohexylamino)benzo[h]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(cyclohexylamino)benzo[h]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(cyclohexylamino)benzo[h]quinolin-1-ium-3-carboxylate CAS Name: 4-(cyclohexylamino)-3-benzo[h]quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclohexylamino)benzo[h]quinolin-1-ium-3-carboxylate Traditional Name: 4-(cyclohexylamino)benzo[h]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C22H25N2O2+ MolecularWeight: 349.4461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NC3CCCCC3)C=CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NC3CCCCC3)C=CC4=CC=CC=C42

InChI

InChI=1S/C22H24N2O2/c1-2-26-22(25)19-14-23-20-17-11-7-6-8-15(17)12-13-18(20)21(19)24-16-9-4-3-5-10-16/h6-8,11-14,16H,2-5,9-10H2,1H3,(H,23,24)/p+1