1-(3-chloranyl-2-oxidanyl-propyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 1-(3-chloranyl-2-oxidanyl-propyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(3-chloro-2-hydroxy-propyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[anilino(oxo)methyl]-1-(3-chloro-2-hydroxypropyl)-3-phenyl-4-triazol-1-iumolate IUPAC Name: 1-(3-chloro-2-hydroxypropyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Traditional Name: 1-(3-chloro-2-hydroxy-propyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Formula: C18H17ClN4O3 MolecularWeight: 372.80558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CC(CCl)O)C3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CC(CCl)O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H17ClN4O3/c19-11-15(24)12-22-16(17(25)20-13-7-3-1-4-8-13)18(26)23(21-22)14-9-5-2-6-10-14/h1-10,15,24H,11-12H2,(H-,20,21,25,26)