N-(4-methoxyphenyl)-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrimidin-1-ium-4-amine

Systemtic Name: N-(4-methoxyphenyl)-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrimidin-1-ium-4-amine Openeye Name: N-(4-methoxyphenyl)-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrimidin-1-ium-4-amine CAS Name: N-(4-methoxyphenyl)-6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-pyrimidin-1-iumamine IUPAC Name: N-(4-methoxyphenyl)-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrimidin-1-ium-4-amine Traditional Name: (4-methoxyphenyl)-[6-(4-pyridin-1-ium-2-ylpiperazino)pyrimidin-1-ium-4-yl]amine Formula: C20H24N6O+2 MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC(=[NH+]C=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC(=[NH+]C=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H22N6O/c1-27-17-7-5-16(6-8-17)24-18-14-20(23-15-22-18)26-12-10-25(11-13-26)19-4-2-3-9-21-19/h2-9,14-15H,10-13H2,1H3,(H,22,23,24)/p+2