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

Systemtic Name: 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-[2-(4-acetyl-1-piperazin-1-iumyl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C22H30N5O4+ MolecularWeight: 428.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CCNC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CCNC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

InChI

InChI=1S/C22H29N5O4/c1-15(28)26-10-8-25(9-11-26)7-5-23-21-14-18-17-13-20(31-3)19(30-2)12-16(17)4-6-27(18)22(29)24-21/h12-14H,4-11H2,1-3H3,(H,23,24,29)/p+1