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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C=C(C=C5)Cl)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C=C(C=C5)Cl)C(=O)N

InChI

InChI=1S/C24H26ClN5O3/c25-16-6-7-19-18(15-16)22(32)30-12-4-5-17(20(30)27-19)21(31)28-13-8-24(9-14-28,23(26)33)29-10-2-1-3-11-29/h4-7,12,15H,1-3,8-11,13-14H2,(H2,26,33)/p+1