5-(2-methylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2,4-triazine

Systemtic Name: 5-(2-methylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2,4-triazine Openeye Name: 5-(o-tolyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2,4-triazine CAS Name: 5-(2-methylphenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1,2,4-triazine IUPAC Name: 5-(2-methylphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1,2,4-triazine Traditional Name: 5-(o-tolyl)-3-(4-pyridin-1-ium-2-ylpiperazino)-1,2,4-triazine Formula: C19H21N6+ MolecularWeight: 333.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=CC=C1C2=CN=NC(=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H20N6/c1-15-6-2-3-7-16(15)17-14-21-23-19(22-17)25-12-10-24(11-13-25)18-8-4-5-9-20-18/h2-9,14H,10-13H2,1H3/p+1