ethyl 4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H20ClN4O3+ MolecularWeight: 351.808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4O3/c1-2-24-16(23)21-7-5-20(6-8-21)10-14-18-13-9-11(17)3-4-12(13)15(22)19-14/h3-4,9H,2,5-8,10H2,1H3,(H,18,19,22)/p+1