ethyl 4-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O3/c1-2-25-18(24)21-12-10-20(11-13-21)14-17(23)22-9-8-16(19-22)15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3/p+1