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

Systemtic Name: N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-ethyl-2-imidazolyl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-ethylimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1-ethylimidazol-2-yl)methyl]-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:

CCN1C=CN=C1CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C=CN=C1CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-2-29-14-12-26-23(29)17-28-24(31)16-22-25(32)27-13-15-30(22)18-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-12,14,22H,2,13,15-18H2,1H3,(H,27,32)(H,28,31)/p+1/t22-/m1/s1