2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(3-methoxyphenyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(3-methoxyphenyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(3-methoxyphenyl)-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-aminophenyl)methyl]-1-piperazin-4-iumyl]-6-(3-methoxyphenyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(4-aminophenyl)methyl]piperazin-4-ium-1-yl]-6-(3-methoxyphenyl)-1H-pyrimidin-4-one Traditional Name: 2-[4-(4-aminobenzyl)piperazin-4-ium-1-yl]-6-(3-methoxyphenyl)-1H-pyrimidin-4-one Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-29-19-4-2-3-17(13-19)20-14-21(28)25-22(24-20)27-11-9-26(10-12-27)15-16-5-7-18(23)8-6-16/h2-8,13-14H,9-12,15,23H2,1H3,(H,24,25,28)/p+1