3-[[4-[(4-pyridin-2-yl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine

Systemtic Name: 3-[[4-[(4-pyridin-2-yl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine Openeye Name: 3-[[4-[[4-(2-pyridyl)triazol-1-yl]methyl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine CAS Name: 3-[[4-[[4-(2-pyridinyl)-1-triazolyl]methyl]-1-piperidin-1-iumyl]methyl]-2-pyridinamine IUPAC Name: 3-[[4-[(4-pyridin-2-yltriazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine Traditional Name: [3-[[4-[[4-(2-pyridyl)triazol-1-yl]methyl]piperidin-1-ium-1-yl]methyl]-2-pyridyl]amine Formula: C19H24N7+ MolecularWeight: 350.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CN2C=C(N=N2)C3=CC=CC=N3)CC4=C(N=CC=C4)N

Isomeric SMILES

C1C[NH+](CCC1CN2C=C(N=N2)C3=CC=CC=N3)CC4=C(N=CC=C4)N

InChI

InChI=1S/C19H23N7/c20-19-16(4-3-9-22-19)13-25-10-6-15(7-11-25)12-26-14-18(23-24-26)17-5-1-2-8-21-17/h1-5,8-9,14-15H,6-7,10-13H2,(H2,20,22)/p+1