ethyl 4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H20N4O3/c1-2-23-16(22)20-9-7-19(8-10-20)11-14-17-13-6-4-3-5-12(13)15(21)18-14/h3-6H,2,7-11H2,1H3,(H,17,18,21)/p+1