3-(3,4-dimethylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[(3S)-3-methyl-1-piperidyl]quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[(3S)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[(3S)-3-methylpiperidino]quinolin-1-ium Formula: C23H27N2O2S+ MolecularWeight: 395.53768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C23H26N2O2S/c1-16-7-6-12-25(15-16)23-20-8-4-5-9-21(20)24-14-22(23)28(26,27)19-11-10-17(2)18(3)13-19/h4-5,8-11,13-14,16H,6-7,12,15H2,1-3H3/p+1/t16-/m0/s1