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

Systemtic Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyrazin-2-amine Openeye Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyrazin-2-amine CAS Name: N-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-2-pyrazinamine IUPAC Name: N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pyrazin-2-amine Traditional Name: [2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-yl]methyl-pyrazin-2-yl-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=CN=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC4=NC=CN=C4

InChI

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