ethyl 6-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-benzylpiperazin-4-ium-1-yl)-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 6-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylpiperazin-4-ium-1-yl)-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-keto-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3/c1-2-25-17(24)15-12-19-18(20-16(15)23)22-10-8-21(9-11-22)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,19,20,23)/p+1