4-methyl-N-(3-methylphenyl)-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-(3-methylphenyl)-N-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-4-methyl-N-(m-tolyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propyl]-4-methyl-N-(m-tolyl)benzenesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCCCC2)O)C3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C[NH+]2CCCCC2)O)C3=CC=CC(=C3)C

InChI

InChI=1S/C22H30N2O3S/c1-18-9-11-22(12-10-18)28(26,27)24(20-8-6-7-19(2)15-20)17-21(25)16-23-13-4-3-5-14-23/h6-12,15,21,25H,3-5,13-14,16-17H2,1-2H3/p+1/t21-/m0/s1