4-(azepan-1-yl)-6-ethoxy-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-(azepan-1-yl)-6-ethoxy-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-ethoxy-quinolin-1-ium CAS Name: 4-(1-azepanyl)-3-(benzenesulfonyl)-6-ethoxyquinolin-1-ium IUPAC Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-ethoxyquinolin-1-ium Traditional Name: 4-(azepan-1-yl)-3-besyl-6-ethoxy-quinolin-1-ium Formula: C23H27N2O3S+ MolecularWeight: 411.53708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C23H26N2O3S/c1-2-28-18-12-13-21-20(16-18)23(25-14-8-3-4-9-15-25)22(17-24-21)29(26,27)19-10-6-5-7-11-19/h5-7,10-13,16-17H,2-4,8-9,14-15H2,1H3/p+1