3-(1,3,5-triphenyl-1,2,4-triazol-4-ium-4-yl)propan-1-ol chloride

Systemtic Name: 3-(1,3,5-triphenyl-1,2,4-triazol-4-ium-4-yl)propan-1-ol chloride Openeye Name: 3-(1,3,5-triphenyl-1,2,4-triazol-4-ium-4-yl)propan-1-ol chloride CAS Name: 3-(1,3,5-triphenyl-1,2,4-triazol-4-ium-4-yl)-1-propanol chloride IUPAC Name: 3-(1,3,5-triphenyl-1,2,4-triazol-4-ium-4-yl)propan-1-ol chloride Traditional Name: 3-(1,3,5-triphenyl-1,2,4-triazol-4-ium-4-yl)propan-1-ol chloride Formula: C23H22ClN3O MolecularWeight: 391.89328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=[N+]2CCCO)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=[N+]2CCCO)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H22N3O.ClH/c27-18-10-17-25-22(19-11-4-1-5-12-19)24-26(21-15-8-3-9-16-21)23(25)20-13-6-2-7-14-20;/h1-9,11-16,27H,10,17-18H2;1H/q+1;/p-1