2-[2-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methyl]pyrrol-1-yl]pyrimidine

Systemtic Name: 2-[2-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methyl]pyrrol-1-yl]pyrimidine Openeye Name: 2-[2-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methyl]pyrrol-1-yl]pyrimidine CAS Name: 2-[2-[[4-(6-methyl-2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-pyrrolyl]pyrimidine IUPAC Name: 2-[2-[[4-(6-methylpyridin-1-ium-2-yl)piperazin-1-yl]methyl]pyrrol-1-yl]pyrimidine Traditional Name: 2-[2-[[4-(6-methylpyridin-1-ium-2-yl)piperazino]methyl]pyrrol-1-yl]pyrimidine Formula: C19H23N6+ MolecularWeight: 335.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)N2CCN(CC2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N2CCN(CC2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C19H22N6/c1-16-5-2-7-18(22-16)24-13-11-23(12-14-24)15-17-6-3-10-25(17)19-20-8-4-9-21-19/h2-10H,11-15H2,1H3/p+1