4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-quinolin-1-ium CAS Name: 4-(1-azepanyl)-3-(4-chlorophenyl)sulfonylquinolin-1-ium IUPAC Name: 4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinolin-1-ium Traditional Name: 4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-quinolin-1-ium Formula: C21H22ClN2O2S+ MolecularWeight: 401.92958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

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