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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C31H33N4O3+ MolecularWeight: 509.61872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)OC

InChI

InChI=1S/C31H32N4O3/c1-37-27-19-24-13-14-35-26(25(24)20-28(27)38-2)21-29(32-31(35)36)33-15-17-34(18-16-33)30(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,19-21,30H,13-18H2,1-2H3/p+1