1-[1-(2-chloranyl-11-oxidanylidene-pyrido[2,1-b]quinazolin-6-yl)carbonylpiperidin-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(2-chloranyl-11-oxidanylidene-pyrido[2,1-b]quinazolin-6-yl)carbonylpiperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(2-chloro-11-oxo-pyrido[2,1-b]quinazoline-6-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2-chloro-11-oxo-6-pyrido[2,1-b]quinazolinyl)-oxomethyl]-4-piperidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(2-chloro-11-oxopyrido[2,1-b]quinazoline-6-carbonyl)piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(2-chloro-11-keto-pyrido[2,1-b]quinazoline-6-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxamide Formula: C24H27ClN5O3+ MolecularWeight: 468.95588

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)C2CCN(CC2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C=C(C=C5)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)C2CCN(CC2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C=C(C=C5)Cl

InChI

InChI=1S/C24H26ClN5O3/c25-16-3-4-20-19(14-16)24(33)30-9-1-2-18(22(30)27-20)23(32)29-12-7-17(8-13-29)28-10-5-15(6-11-28)21(26)31/h1-4,9,14-15,17H,5-8,10-13H2,(H2,26,31)/p+1