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

Systemtic Name: methyl 1-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H23N4O4+ MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4/c1-26-18(25)12-6-8-21(9-7-12)11-16-20-14-5-3-2-4-13(14)17(24)22(16)10-15(19)23/h2-5,12H,6-11H2,1H3,(H2,19,23)/p+1