2-[1-[[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]methyl]-1,2,3-triazol-4-yl]propan-2-ylazanium

Systemtic Name: 2-[1-[[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]methyl]-1,2,3-triazol-4-yl]propan-2-ylazanium Openeye Name: [1-methyl-1-[1-[[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]methyl]triazol-4-yl]ethyl]ammonium CAS Name: 2-[1-[[1-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-4-piperidinyl]methyl]-4-triazolyl]propan-2-ylammonium IUPAC Name: 2-[1-[[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ylazanium Traditional Name: [1-methyl-1-[1-[[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]methyl]triazol-4-yl]ethyl]ammonium Formula: C21H28N7O+ MolecularWeight: 394.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(N=N1)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4)[NH3+]

Isomeric SMILES

CC(C)(C1=CN(N=N1)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4)[NH3+]

InChI

InChI=1S/C21H27N7O/c1-21(2,22)19-15-27(25-24-19)14-16-8-12-26(13-9-16)20(29)17-4-6-18(7-5-17)28-11-3-10-23-28/h3-7,10-11,15-16H,8-9,12-14,22H2,1-2H3/p+1