6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium

Systemtic Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Openeye Name: 6,7-dimethoxy-4-[(3S)-3-methyl-1-piperidyl]-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 6,7-dimethoxy-4-[(3S)-3-methylpiperidino]-3-tosyl-quinolin-1-ium Formula: C24H29N2O4S+ MolecularWeight: 441.56306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-16-7-9-18(10-8-16)31(27,28)23-14-25-20-13-22(30-4)21(29-3)12-19(20)24(23)26-11-5-6-17(2)15-26/h7-10,12-14,17H,5-6,11,15H2,1-4H3/p+1/t17-/m0/s1