12-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: 12-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-[3-(1-piperidin-1-iumyl)propyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(3-piperidin-1-ium-1-ylpropyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(3-piperidin-1-ium-1-ylpropyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCCC[NH+]4CCCCC4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCCC[NH+]4CCCCC4)C(=O)N2CC1

InChI

InChI=1S/C22H30N4O2/c27-21(23-11-7-14-25-12-4-2-5-13-25)17-9-10-18-19(16-17)24-20-8-3-1-6-15-26(20)22(18)28/h9-10,16H,1-8,11-15H2,(H,23,27)/p+1