3-(4-methylphenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-tosyl-propionamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-18-7-9-21(10-8-18)28(26,27)16-13-22(25)23-20-11-14-24(15-12-20)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,23,25)/p+1