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

Systemtic Name: 12-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(2-pyrrolidin-1-ium-1-ylethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c25-19(21-9-13-23-10-4-5-11-23)15-7-8-16-17(14-15)22-18-6-2-1-3-12-24(18)20(16)26/h7-8,14H,1-6,9-13H2,(H,21,25)/p+1