ethyl 1-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H25N4O4+ MolecularWeight: 373.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C19H24N4O4/c1-2-27-19(26)13-7-9-22(10-8-13)12-17-21-15-6-4-3-5-14(15)18(25)23(17)11-16(20)24/h3-6,13H,2,7-12H2,1H3,(H2,20,24)/p+1