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

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-phenylbenzyl)piperazin-1-ium-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-28-16-19(15-27-28)14-26-23(30)13-22-24(31)25-11-12-29(22)17-18-7-9-21(10-8-18)20-5-3-2-4-6-20/h2-10,15-16,22H,11-14,17H2,1H3,(H,25,31)(H,26,30)/p+1/t22-/m1/s1