(3S,4S,5S)-1,2-dimethyl-3,5-diphenyl-pyrazolidin-1-ium-4-carboxylic acid chloride

Systemtic Name: (3S,4S,5S)-1,2-dimethyl-3,5-diphenyl-pyrazolidin-1-ium-4-carboxylic acid chloride Openeye Name: (3S,4S,5S)-1,2-dimethyl-3,5-diphenyl-pyrazolidin-1-ium-4-carboxylic acid chloride CAS Name: (3S,4S,5S)-1,2-dimethyl-3,5-diphenyl-4-pyrazolidin-1-iumcarboxylic acid chloride IUPAC Name: (3S,4S,5S)-1,2-dimethyl-3,5-diphenylpyrazolidin-1-ium-4-carboxylic acid chloride Traditional Name: (3S,4S,5S)-1,2-dimethyl-3,5-diphenyl-pyrazolidin-1-ium-4-carboxylic acid chloride Formula: C18H21ClN2O2 MolecularWeight: 332.82454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(C(C(N1C)C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+]1[C@@H]([C@H]([C@H](N1C)C2=CC=CC=C2)C(=O)O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H20N2O2.ClH/c1-19-16(13-9-5-3-6-10-13)15(18(21)22)17(20(19)2)14-11-7-4-8-12-14;/h3-12,15-17H,1-2H3,(H,21,22);1H/t16-,17-;/m1./s1