(phenylmethyl) 4-[imidazol-1-yl(phenyl)methyl]-2-oxidanylidene-3-propan-2-yl-1,3-dihydropyrazin-4-ium-4-carboxylate

Systemtic Name: (phenylmethyl) 4-[imidazol-1-yl(phenyl)methyl]-2-oxidanylidene-3-propan-2-yl-1,3-dihydropyrazin-4-ium-4-carboxylate Openeye Name: benzyl 4-[imidazol-1-yl(phenyl)methyl]-3-isopropyl-2-oxo-1,3-dihydropyrazin-4-ium-4-carboxylate CAS Name: 4-[1-imidazolyl(phenyl)methyl]-2-oxo-3-propan-2-yl-1,3-dihydropyrazin-4-ium-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[imidazol-1-yl(phenyl)methyl]-2-oxo-3-propan-2-yl-1,3-dihydropyrazin-4-ium-4-carboxylate Traditional Name: 4-[imidazol-1-yl(phenyl)methyl]-3-isopropyl-2-keto-1,3-dihydropyrazin-4-ium-4-carboxylic acid benzyl ester Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC=C[N+]1(C(C2=CC=CC=C2)N3C=CN=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1C(=O)NC=C[N+]1(C(C2=CC=CC=C2)N3C=CN=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3/c1-19(2)22-23(30)27-14-16-29(22,25(31)32-17-20-9-5-3-6-10-20)24(28-15-13-26-18-28)21-11-7-4-8-12-21/h3-16,18-19,22,24H,17H2,1-2H3/p+1