4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methoxy-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methoxy-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-6-methoxy-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-6-methoxyquinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methoxyquinolin-1-ium Traditional Name: 3-besyl-4-[(3S,5S)-3,5-dimethylpiperidino]-6-methoxy-quinolin-1-ium Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=CC=C4)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-16-11-17(2)15-25(14-16)23-20-12-18(28-3)9-10-21(20)24-13-22(23)29(26,27)19-7-5-4-6-8-19/h4-10,12-13,16-17H,11,14-15H2,1-3H3/p+1/t16-,17-/m0/s1