3-(4-methylphenyl)sulfonyl-4-[(2S)-2-methylpiperidin-1-yl]quinolin-1-ium

Systemtic Name: 3-(4-methylphenyl)sulfonyl-4-[(2S)-2-methylpiperidin-1-yl]quinolin-1-ium Openeye Name: 4-[(2S)-2-methyl-1-piperidyl]-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 3-(4-methylphenyl)sulfonyl-4-[(2S)-2-methyl-1-piperidinyl]quinolin-1-ium IUPAC Name: 3-(4-methylphenyl)sulfonyl-4-[(2S)-2-methylpiperidin-1-yl]quinolin-1-ium Traditional Name: 4-[(2S)-2-methylpiperidino]-3-tosyl-quinolin-1-ium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

C[C@H]1CCCCN1C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

InChI

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