ethyl 4-[(11-oxidanylidene-5H-pyrido[2,1-b]quinazolin-10-ium-8-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(11-oxidanylidene-5H-pyrido[2,1-b]quinazolin-10-ium-8-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-8-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-8-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-8-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(11-keto-5H-pyrido[2,1-b]quinazolin-10-ium-8-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C[N+]3=C(C=C2)NC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C[N+]3=C(C=C2)NC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N4O4/c1-2-28-20(27)23-11-9-22(10-12-23)18(25)14-7-8-17-21-16-6-4-3-5-15(16)19(26)24(17)13-14/h3-8,13H,2,9-12H2,1H3/p+1