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

Systemtic Name: 4-(azepan-1-yl)-6-chloranyl-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-chloro-quinolin-1-ium CAS Name: 4-(1-azepanyl)-3-(benzenesulfonyl)-6-chloroquinolin-1-ium IUPAC Name: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-chloroquinolin-1-ium Traditional Name: 4-(azepan-1-yl)-3-besyl-6-chloro-quinolin-1-ium Formula: C21H22ClN2O2S+ MolecularWeight: 401.92958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H21ClN2O2S/c22-16-10-11-19-18(14-16)21(24-12-6-1-2-7-13-24)20(15-23-19)27(25,26)17-8-4-3-5-9-17/h3-5,8-11,14-15H,1-2,6-7,12-13H2/p+1