3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-[(3S)-3-methyl-1-piperidyl]quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-[(3S)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-[(3S)-3-methylpiperidino]quinolin-1-ium Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC(=C(C=C4)C)C)OC

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC(=C(C=C4)C)C)OC

InChI

InChI=1S/C24H28N2O3S/c1-16-6-5-11-26(15-16)24-21-13-19(29-4)8-10-22(21)25-14-23(24)30(27,28)20-9-7-17(2)18(3)12-20/h7-10,12-14,16H,5-6,11,15H2,1-4H3/p+1/t16-/m0/s1