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

Systemtic Name: ethyl 4-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H22N4O3/c1-3-24-17(23)21-10-8-20(9-11-21)12(2)15-18-14-7-5-4-6-13(14)16(22)19-15/h4-7,12H,3,8-11H2,1-2H3,(H,18,19,22)/p+1/t12-/m1/s1