2-methyl-4-(1-pyridin-1-ium-1-ylpentyl)-1,2,4-triazol-4-ium-3-amine

Systemtic Name: 2-methyl-4-(1-pyridin-1-ium-1-ylpentyl)-1,2,4-triazol-4-ium-3-amine Openeye Name: 2-methyl-4-(1-pyridin-1-ium-1-ylpentyl)-1,2,4-triazol-4-ium-3-amine CAS Name: 2-methyl-4-[1-(1-pyridin-1-iumyl)pentyl]-1,2,4-triazol-4-ium-3-amine IUPAC Name: 2-methyl-4-(1-pyridin-1-ium-1-ylpentyl)-1,2,4-triazol-4-ium-3-amine Traditional Name: [2-methyl-4-(1-pyridin-1-ium-1-ylpentyl)-1,2,4-triazol-4-ium-3-yl]amine Formula: C13H21N5+2 MolecularWeight: 247.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC([N+]1=CC=CC=C1)[N+]2=C(N(N=C2)C)N

Isomeric SMILES

CCCCC([N+]1=CC=CC=C1)[N+]2=C(N(N=C2)C)N

InChI

InChI=1S/C13H20N5/c1-3-4-8-12(17-9-6-5-7-10-17)18-11-15-16(2)13(18)14/h5-7,9-12,14H,3-4,8H2,1-2H3/q+1/p+1