6-(phenylmethyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one

Systemtic Name: 6-(phenylmethyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one CAS Name: 6-(phenylmethyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-(4-pyridin-1-ium-2-ylpiperazino)-2H-1,2,4-triazin-5-one Formula: C19H21N6O+ MolecularWeight: 349.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=O)C(=NN3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC(=O)C(=NN3)CC4=CC=CC=C4

InChI

InChI=1S/C19H20N6O/c26-18-16(14-15-6-2-1-3-7-15)22-23-19(21-18)25-12-10-24(11-13-25)17-8-4-5-9-20-17/h1-9H,10-14H2,(H,21,23,26)/p+1