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

Systemtic Name: 4-(azepan-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-quinolin-1-ium Openeye Name: 4-(azepan-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-quinolin-1-ium CAS Name: 4-(1-azepanyl)-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-1-ium IUPAC Name: 4-(azepan-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-1-ium Traditional Name: 4-(azepan-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-quinolin-1-ium Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCCCC4)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCCCC4)OC)C

InChI

InChI=1S/C24H28N2O3S/c1-17-8-10-20(14-18(17)2)30(27,28)23-16-25-22-11-9-19(29-3)15-21(22)24(23)26-12-6-4-5-7-13-26/h8-11,14-16H,4-7,12-13H2,1-3H3/p+1