2-[2-(azepan-1-ium-1-yl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-[2-(azepan-1-ium-1-yl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-[2-(1-azepan-1-iumyl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-[2-(azepan-1-ium-1-yl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-[2-(azepan-1-ium-1-yl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCC[NH+]4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCC[NH+]4CCCCCC4)OC

InChI

InChI=1S/C22H30N4O3/c1-28-19-13-16-7-11-26-18(17(16)14-20(19)29-2)15-21(24-22(26)27)23-8-12-25-9-5-3-4-6-10-25/h13-15H,3-12H2,1-2H3,(H,23,24,27)/p+1