4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-6-methoxy-quinolin-1-ium

Systemtic Name: 4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-6-methoxy-quinolin-1-ium Openeye Name: 4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-6-methoxy-quinolin-1-ium CAS Name: 4-(1-azepanyl)-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-1-ium IUPAC Name: 4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-1-ium Traditional Name: 4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-6-methoxy-quinolin-1-ium Formula: C22H24ClN2O3S+ MolecularWeight: 431.95556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)Cl)N4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)Cl)N4CCCCCC4

InChI

InChI=1S/C22H23ClN2O3S/c1-28-17-8-11-20-19(14-17)22(25-12-4-2-3-5-13-25)21(15-24-20)29(26,27)18-9-6-16(23)7-10-18/h6-11,14-15H,2-5,12-13H2,1H3/p+1