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

Systemtic Name: 9,10-dimethoxy-2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethylamino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 9,10-dimethoxy-2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethylamino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 9,10-dimethoxy-2-[2-[4-(1-oxopropyl)-1-piperazin-1-iumyl]ethylamino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 9,10-dimethoxy-2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethylamino]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 9,10-dimethoxy-2-[2-(4-propionylpiperazin-1-ium-1-yl)ethylamino]-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C23H32N5O4+ MolecularWeight: 442.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O4/c1-4-22(29)27-11-9-26(10-12-27)8-6-24-21-15-18-17-14-20(32-3)19(31-2)13-16(17)5-7-28(18)23(30)25-21/h13-15H,4-12H2,1-3H3,(H,24,25,30)/p+1