6-methyl-4-[(3S)-3-methylpiperidin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-methyl-4-[(3S)-3-methylpiperidin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-methyl-4-[(3S)-3-methyl-1-piperidyl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-methyl-4-[(3S)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-6-methyl-4-[(3S)-3-methylpiperidino]quinolin-1-ium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/c1-16-10-11-20-19(13-16)22(24-12-6-7-17(2)15-24)21(14-23-20)27(25,26)18-8-4-3-5-9-18/h3-5,8-11,13-14,17H,6-7,12,15H2,1-2H3/p+1/t17-/m0/s1