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

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: N-[(1-ethylpyrazol-4-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=C(C=N1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-2-30-18-20(16-28-30)15-27-24(31)14-23-25(32)26-12-13-29(23)17-19-8-10-22(11-9-19)21-6-4-3-5-7-21/h3-11,16,18,23H,2,12-15,17H2,1H3,(H,26,32)(H,27,31)/p+1/t23-/m1/s1