4-(diphenylmethyl)-N-(3-ethanoylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(diphenylmethyl)-N-(3-ethanoylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(3-acetylphenyl)-4-benzhydryl-piperazin-4-ium-1-carboxamide CAS Name: N-(3-acetylphenyl)-4-(diphenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-acetylphenyl)-4-benzhydrylpiperazin-4-ium-1-carboxamide Traditional Name: N-(3-acetylphenyl)-4-benzhydryl-piperazin-4-ium-1-carboxamide Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2/c1-20(30)23-13-8-14-24(19-23)27-26(31)29-17-15-28(16-18-29)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,25H,15-18H2,1H3,(H,27,31)/p+1