2-[1-[1-(2-pyridin-3-ylethanoyl)piperidin-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium

Systemtic Name: 2-[1-[1-(2-pyridin-3-ylethanoyl)piperidin-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium Openeye Name: [1-methyl-1-[1-[1-[2-(3-pyridyl)acetyl]-4-piperidyl]triazol-4-yl]ethyl]ammonium CAS Name: 2-[1-[1-[1-oxo-2-(3-pyridinyl)ethyl]-4-piperidinyl]-4-triazolyl]propan-2-ylammonium IUPAC Name: 2-[1-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]triazol-4-yl]propan-2-ylazanium Traditional Name: [1-methyl-1-[1-[1-[2-(3-pyridyl)acetyl]-4-piperidyl]triazol-4-yl]ethyl]ammonium Formula: C17H25N6O+ MolecularWeight: 329.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)CC3=CN=CC=C3)[NH3+]

Isomeric SMILES

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)CC3=CN=CC=C3)[NH3+]

InChI

InChI=1S/C17H24N6O/c1-17(2,18)15-12-23(21-20-15)14-5-8-22(9-6-14)16(24)10-13-4-3-7-19-11-13/h3-4,7,11-12,14H,5-6,8-10,18H2,1-2H3/p+1