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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-27(25,26)16-18-7-9-19(10-8-18)21(24)22-20-11-13-23(14-12-20)15-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,22,24)/p+1