ethyl 2-oxidanylidene-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

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