2-ethylsulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 2-ethylsulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-ethylsulfonyl-benzamide CAS Name: 2-ethylsulfonyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-ethylsulfonylbenzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-esyl-benzamide Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-2-27(25,26)20-11-7-6-10-19(20)21(24)22-18-12-14-23(15-13-18)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,22,24)/p+1