N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C21H28N7O+ MolecularWeight: 394.49332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N7O/c29-21(20-17-27(25-24-20)12-11-26-9-5-2-6-10-26)22-13-19-14-23-28(16-19)15-18-7-3-1-4-8-18/h1,3-4,7-8,14,16-17H,2,5-6,9-13,15H2,(H,22,29)/p+1