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

Systemtic Name: 12-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(3-pyrrolidin-1-ium-1-ylpropyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCCC[NH+]4CCCC4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCCC[NH+]4CCCC4)C(=O)N2CC1

InChI

InChI=1S/C21H28N4O2/c26-20(22-10-6-13-24-11-4-5-12-24)16-8-9-17-18(15-16)23-19-7-2-1-3-14-25(19)21(17)27/h8-9,15H,1-7,10-14H2,(H,22,26)/p+1