1-[1-(11-oxidanylidenepyrido[2,1-b]quinazolin-8-yl)carbonylpiperidin-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(11-oxidanylidenepyrido[2,1-b]quinazolin-8-yl)carbonylpiperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(11-oxopyrido[2,1-b]quinazoline-8-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[oxo-(11-oxo-8-pyrido[2,1-b]quinazolinyl)methyl]-4-piperidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(11-oxopyrido[2,1-b]quinazoline-8-carbonyl)piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(11-ketopyrido[2,1-b]quinazoline-8-carbonyl)-4-piperidyl]piperidin-1-ium-4-carboxamide Formula: C24H28N5O3+ MolecularWeight: 434.51082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)C2CCN(CC2)C(=O)C3=CN4C(=NC5=CC=CC=C5C4=O)C=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)C2CCN(CC2)C(=O)C3=CN4C(=NC5=CC=CC=C5C4=O)C=C3

InChI

InChI=1S/C24H27N5O3/c25-22(30)16-7-11-27(12-8-16)18-9-13-28(14-10-18)23(31)17-5-6-21-26-20-4-2-1-3-19(20)24(32)29(21)15-17/h1-6,15-16,18H,7-14H2,(H2,25,30)/p+1