N,N-diethyl-1-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C18H27N6O+ MolecularWeight: 343.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CC=CC=N3

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=CC=N3

InChI

InChI=1S/C18H26N6O/c1-3-23(4-2)18(25)17-14-24(21-20-17)16-9-7-11-22(13-16)12-15-8-5-6-10-19-15/h5-6,8,10,14,16H,3-4,7,9,11-13H2,1-2H3/p+1/t16-/m0/s1