6-[(4-chlorophenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[(4-chlorophenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one Openeye Name: 6-[(4-chlorophenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one CAS Name: 6-[(4-chlorophenyl)methyl]-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(4-chlorophenyl)methyl]-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-chlorobenzyl)-3-(4-pyridin-1-ium-2-ylpiperazino)-2H-1,2,4-triazin-5-one Formula: C19H20ClN6O+ MolecularWeight: 383.8547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN6O/c20-15-6-4-14(5-7-15)13-16-18(27)22-19(24-23-16)26-11-9-25(10-12-26)17-3-1-2-8-21-17/h1-8H,9-13H2,(H,22,24,27)/p+1