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

Systemtic Name: 6-chloranyl-4-[(3S)-3-methylpiperidin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-chloro-4-[(3S)-3-methyl-1-piperidyl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-chloro-4-[(3S)-3-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-chloro-4-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-6-chloro-4-[(3S)-3-methylpiperidino]quinolin-1-ium Formula: C21H22ClN2O2S+ MolecularWeight: 401.92958

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O2S/c1-15-6-5-11-24(14-15)21-18-12-16(22)9-10-19(18)23-13-20(21)27(25,26)17-7-3-2-4-8-17/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3/p+1/t15-/m0/s1