N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine

Systemtic Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine Openeye Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine CAS Name: N-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-2-pyrimidinamine IUPAC Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine Traditional Name: [2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-yl]methyl-(2-pyrimidyl)amine Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC4=NC=CC=N4

InChI

InChI=1S/C21H24N6O/c1-28-19-8-3-2-7-18(19)26-12-14-27(15-13-26)20-17(6-4-9-22-20)16-25-21-23-10-5-11-24-21/h2-11H,12-16H2,1H3,(H,23,24,25)/p+1