5,7-dimethyl-1-pentyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-amine

Systemtic Name: 5,7-dimethyl-1-pentyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-amine Openeye Name: 5,7-dimethyl-1-pentyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-amine CAS Name: 5,7-dimethyl-1-pentyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-amine IUPAC Name: 5,7-dimethyl-1-pentyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-amine Traditional Name: (1-amyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-yl)-phenyl-amine Formula: C19H25N4+ MolecularWeight: 309.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC(=CC(=[N+]2C(=N1)NC3=CC=CC=C3)C)C

Isomeric SMILES

CCCCCN1C2=CC(=CC(=[N+]2C(=N1)NC3=CC=CC=C3)C)C

InChI

InChI=1S/C19H25N4/c1-4-5-9-12-22-18-14-15(2)13-16(3)23(18)19(21-22)20-17-10-7-6-8-11-17/h6-8,10-11,13-14H,4-5,9,12H2,1-3H3,(H,20,21)/q+1