N-(3-imidazol-1-ylpropyl)-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-[(2R)-3-keto-1-(4-phenylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCN2C=CN=C2)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCN2C=CN=C2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c31-24(27-11-4-14-29-15-12-26-19-29)17-23-25(32)28-13-16-30(23)18-20-7-9-22(10-8-20)21-5-2-1-3-6-21/h1-3,5-10,12,15,19,23H,4,11,13-14,16-18H2,(H,27,31)(H,28,32)/p+1/t23-/m1/s1