(2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C27H33N3O2+2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-21-13-14-25(32-2)24(19-21)28-27(31)26(23-11-7-4-8-12-23)30-17-15-29(16-18-30)20-22-9-5-3-6-10-22/h3-14,19,26H,15-18,20H2,1-2H3,(H,28,31)/p+2/t26-/m0/s1