(5S)-5-(phenoxymethyl)-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium chloride

Systemtic Name: (5S)-5-(phenoxymethyl)-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium chloride Openeye Name: (5S)-5-(phenoxymethyl)-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium chloride CAS Name: (5S)-5-(phenoxymethyl)-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium chloride IUPAC Name: (5S)-5-(phenoxymethyl)-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium chloride Traditional Name: (5S)-5-(phenoxymethyl)-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium chloride Formula: C18H18ClN3O MolecularWeight: 327.80802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NN(C=[N+]2C1COC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC2=NN(C=[N+]2[C@@H]1COC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C18H18N3O.ClH/c1-3-7-15(8-4-1)21-14-20-16(11-12-18(20)19-21)13-22-17-9-5-2-6-10-17;/h1-10,14,16H,11-13H2;1H/q+1;/p-1/t16-;/m0./s1