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

Systemtic Name: 4-methoxy-N-[[(3S)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[(3S)-1-(o-tolylmethyl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[(3S)-1-[(2-methylphenyl)methyl]-3-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[(3S)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[[(3S)-1-(2-methylbenzyl)piperidin-1-ium-3-yl]methyl]benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCC(C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC[C@@H](C2)CNS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H28N2O3S/c1-17-6-3-4-8-19(17)16-23-13-5-7-18(15-23)14-22-27(24,25)21-11-9-20(26-2)10-12-21/h3-4,6,8-12,18,22H,5,7,13-16H2,1-2H3/p+1/t18-/m1/s1