N-methyl-N-(phenylmethyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-N-(phenylmethyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-methyl-acetamide CAS Name: N-methyl-N-(phenylmethyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-methylacetamide Traditional Name: N-benzyl-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-methyl-acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-22(16-19-8-4-2-5-9-19)21(25)17-23-12-14-24(15-13-23)28(26,27)18-20-10-6-3-7-11-20/h2-11H,12-18H2,1H3/p+1