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

Systemtic Name: N-methyl-N-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-methyl-N-phenyl-acetamide CAS Name: N-methyl-N-phenyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-methyl-N-phenylacetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-methyl-N-phenyl-acetamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-21(19-10-6-3-7-11-19)20(24)16-22-12-14-23(15-13-22)27(25,26)17-18-8-4-2-5-9-18/h2-11H,12-17H2,1H3/p+1