3-azanyl-1-(diphenylmethyl)-4-oxidanylidene-3-(3-phenylpropyl)piperazin-4-ium-2-carboxamide

Systemtic Name: 3-azanyl-1-(diphenylmethyl)-4-oxidanylidene-3-(3-phenylpropyl)piperazin-4-ium-2-carboxamide Openeye Name: 3-amino-1-benzhydryl-4-oxo-3-(3-phenylpropyl)piperazin-4-ium-2-carboxamide CAS Name: 3-amino-1-(diphenylmethyl)-4-oxo-3-(3-phenylpropyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 3-amino-1-benzhydryl-4-oxo-3-(3-phenylpropyl)piperazin-4-ium-2-carboxamide Traditional Name: 3-amino-1-benzhydryl-4-keto-3-(3-phenylpropyl)piperazin-4-ium-2-carboxamide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=O)C(C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N)(CCCC4=CC=CC=C4)N

Isomeric SMILES

C1C[N+](=O)C(C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N)(CCCC4=CC=CC=C4)N

InChI

InChI=1S/C27H30N4O2/c28-26(32)25-27(29,18-10-13-21-11-4-1-5-12-21)31(33)20-19-30(25)24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20,29H2,(H-,28,32)/p+1