9,10-dimethoxy-2-(2-piperidin-1-ium-1-ylethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 9,10-dimethoxy-2-(2-piperidin-1-ium-1-ylethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 9,10-dimethoxy-2-(2-piperidin-1-ium-1-ylethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 9,10-dimethoxy-2-[2-(1-piperidin-1-iumyl)ethylamino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 9,10-dimethoxy-2-(2-piperidin-1-ium-1-ylethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 9,10-dimethoxy-2-(2-piperidin-1-ium-1-ylethylamino)-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCC[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCC[NH+]4CCCCC4)OC

InChI

InChI=1S/C21H28N4O3/c1-27-18-12-15-6-10-25-17(16(15)13-19(18)28-2)14-20(23-21(25)26)22-7-11-24-8-4-3-5-9-24/h12-14H,3-11H2,1-2H3,(H,22,23,26)/p+1