2,5-dimethyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2,5-dimethyl-benzenesulfonamide CAS Name: 2,5-dimethyl-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-2,5-dimethyl-benzenesulfonamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2S/c1-17-8-9-18(2)21(14-17)26(24,25)22-15-19-10-12-23(13-11-19)16-20-6-4-3-5-7-20/h3-9,14,19,22H,10-13,15-16H2,1-2H3/p+1