ethyl 6-(azocan-1-ium-1-ylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(azocan-1-ium-1-ylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(azocan-1-ium-1-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(1-azocan-1-iumylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(azocan-1-ium-1-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(azocan-1-ium-1-ylmethyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H26N3O3+ MolecularWeight: 296.38524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+]2CCCCCCC2

InChI

InChI=1S/C15H25N3O3/c1-2-21-14(19)12-10-16-15(20)17-13(12)11-18-8-6-4-3-5-7-9-18/h2-11H2,1H3,(H2,16,17,20)/p+1