(3S)-1-(4-chlorophenyl)carbonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboximidate

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboximidate Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboximidate CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-(1H-1,2,4-triazol-5-yl)-3-piperidinecarboximidate IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboximidate Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboximidate Formula: C15H15ClN5O2- MolecularWeight: 332.7649

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=NC3=NC=NN3)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=NC3=NC=NN3)[O-]

InChI

InChI=1S/C15H16ClN5O2/c16-12-5-3-10(4-6-12)14(23)21-7-1-2-11(8-21)13(22)19-15-17-9-18-20-15/h3-6,9,11H,1-2,7-8H2,(H2,17,18,19,20,22)/p-1/t11-/m0/s1