4-methyl-N-[(1R)-1-phenyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(1R)-1-phenyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide Openeye Name: 4-methyl-N-[(1R)-1-phenyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide CAS Name: 4-methyl-N-[(1R)-1-phenyl-3-(1-piperidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(1R)-1-phenyl-3-piperidin-1-ium-1-ylpropyl]benzenesulfonamide Traditional Name: 4-methyl-N-[(1R)-1-phenyl-3-piperidin-1-ium-1-yl-propyl]benzenesulfonamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S/c1-18-10-12-20(13-11-18)26(24,25)22-21(19-8-4-2-5-9-19)14-17-23-15-6-3-7-16-23/h2,4-5,8-13,21-22H,3,6-7,14-17H2,1H3/p+1/t21-/m1/s1