6-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-(3,4-dimethoxyphenyl)-1H-pyrimidin-4-one CAS Name: 6-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-(3,4-dimethoxyphenyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-(3,4-dimethoxyphenyl)-1H-pyrimidin-4-one Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=O)N=C(N2)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=O)N=C(N2)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C23H26N4O3/c1-29-20-9-8-18(14-21(20)30-2)19-15-22(28)25-23(24-19)27-12-10-26(11-13-27)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,25,28)/p+1