ethyl 4-[(3-chloranyl-11-oxidanylidene-5H-pyrido[2,1-b]quinazolin-10-ium-8-yl)carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-11-oxidanylidene-5H-pyrido[2,1-b]quinazolin-10-ium-8-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3-chloro-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-8-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(3-chloro-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-8-yl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-11-oxo-5H-pyrido[2,1-b]quinazolin-10-ium-8-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(3-chloro-11-keto-5H-pyrido[2,1-b]quinazolin-10-ium-8-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H22ClN4O4+ MolecularWeight: 429.87678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C[N+]3=C(C=C2)NC4=C(C3=O)C=CC(=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C[N+]3=C(C=C2)NC4=C(C3=O)C=CC(=C4)Cl

InChI

InChI=1S/C21H21ClN4O4/c1-2-30-21(29)25-9-7-15(8-10-25)23-19(27)13-3-6-18-24-17-11-14(22)4-5-16(17)20(28)26(18)12-13/h3-6,11-12,15H,2,7-10H2,1H3,(H,23,27)/p+1