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

Systemtic Name: ethyl 2-oxidanylidene-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H25N5O3+2 MolecularWeight: 347.4121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H23N5O3/c1-2-25-16(23)13-11-19-17(24)20-14(13)12-21-7-9-22(10-8-21)15-5-3-4-6-18-15/h3-6H,2,7-12H2,1H3,(H2,19,20,24)/p+2