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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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