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

Systemtic Name: (2S)-N-(2-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(2-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-N-(2-ethoxyphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(2-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-phenylacetamide Traditional Name: (2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-o-phenetyl-2-phenyl-acetamide Formula: C21H29N3O2+2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C21H27N3O2/c1-3-26-19-12-8-7-11-18(19)22-21(25)20(17-9-5-4-6-10-17)24-15-13-23(2)14-16-24/h4-12,20H,3,13-16H2,1-2H3,(H,22,25)/p+2/t20-/m0/s1