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

Systemtic Name: 9,10-dimethoxy-2-(2-piperazine-1,4-diium-1-ylethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 9,10-dimethoxy-2-(2-piperazine-1,4-diium-1-ylethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 9,10-dimethoxy-2-[2-(1-piperazine-1,4-diiumyl)ethylamino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 9,10-dimethoxy-2-(2-piperazine-1,4-diium-1-ylethylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 9,10-dimethoxy-2-(2-piperazine-1,4-diium-1-ylethylamino)-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C20H29N5O3+2 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCC[NH+]4CC[NH2+]CC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCC[NH+]4CC[NH2+]CC4)OC

InChI

InChI=1S/C20H27N5O3/c1-27-17-11-14-3-7-25-16(15(14)12-18(17)28-2)13-19(23-20(25)26)22-6-10-24-8-4-21-5-9-24/h11-13,21H,3-10H2,1-2H3,(H,22,23,26)/p+2