12-oxidanylidene-N-(1-propylpiperidin-1-ium-4-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: 12-oxidanylidene-N-(1-propylpiperidin-1-ium-4-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-(1-propylpiperidin-1-ium-4-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-(1-propyl-4-piperidin-1-iumyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(1-propylpiperidin-1-ium-4-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(1-propylpiperidin-1-ium-4-yl)-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:

CCC[NH+]1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C22H30N4O2/c1-2-11-25-13-9-17(10-14-25)23-21(27)16-7-8-18-19(15-16)24-20-6-4-3-5-12-26(20)22(18)28/h7-8,15,17H,2-6,9-14H2,1H3,(H,23,27)/p+1