2-[4-(1-methylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(1-methylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(1-mesylisonipecotoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H30N4O4S/c1-29(27,28)24-9-7-18(8-10-24)20(26)23-13-11-22(12-14-23)16-19(25)21-15-17-5-3-2-4-6-17/h2-6,18H,7-16H2,1H3,(H,21,25)/p+1