1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propan-1-one Formula: C22H31N6O2+ MolecularWeight: 411.52054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O2/c1-30-20-5-3-19(4-6-20)26-15-17-27(18-16-26)21(29)7-10-25-11-13-28(14-12-25)22-23-8-2-9-24-22/h2-6,8-9H,7,10-18H2,1H3/p+1