1-(6-methylpyridin-2-yl)-4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]piperazin-4-ium

Systemtic Name: 1-(6-methylpyridin-2-yl)-4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]piperazin-4-ium Openeye Name: 1-(6-methyl-2-pyridyl)-4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]piperazin-4-ium CAS Name: 1-(6-methyl-2-pyridinyl)-4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]piperazin-4-ium IUPAC Name: 1-(6-methylpyridin-2-yl)-4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]piperazin-4-ium Traditional Name: 1-(6-methyl-2-pyridyl)-4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]piperazin-4-ium Formula: C16H25N6+ MolecularWeight: 301.4099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2CC[NH+](CC2)CCCC3=NNC(=N3)C

Isomeric SMILES

CC1=NC(=CC=C1)N2CC[NH+](CC2)CCCC3=NNC(=N3)C

InChI

InChI=1S/C16H24N6/c1-13-5-3-7-16(17-13)22-11-9-21(10-12-22)8-4-6-15-18-14(2)19-20-15/h3,5,7H,4,6,8-12H2,1-2H3,(H,18,19,20)/p+1