(2S)-N-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2S)-N-(4-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenylacetamide Traditional Name: (2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-N-(p-tolyl)acetamide Formula: C20H27N3O+2 MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C20H25N3O/c1-16-8-10-18(11-9-16)21-20(24)19(17-6-4-3-5-7-17)23-14-12-22(2)13-15-23/h3-11,19H,12-15H2,1-2H3,(H,21,24)/p+2/t19-/m0/s1