[(1S,2S,3S)-1-carboxy-2-(4-methoxyphenyl)-3-phenyl-cyclopropyl]azanium chloride

Systemtic Name: [(1S,2S,3S)-1-carboxy-2-(4-methoxyphenyl)-3-phenyl-cyclopropyl]azanium chloride Openeye Name: [(1S,2S,3S)-1-carboxy-2-(4-methoxyphenyl)-3-phenyl-cyclopropyl]ammonium chloride CAS Name: [(1S,2S,3S)-1-carboxy-2-(4-methoxyphenyl)-3-phenylcyclopropyl]ammonium chloride IUPAC Name: [(1S,2S,3S)-1-carboxy-2-(4-methoxyphenyl)-3-phenylcyclopropyl]azanium chloride Traditional Name: [(1S,2S,3S)-1-carboxy-2-(4-methoxyphenyl)-3-phenyl-cyclopropyl]ammonium chloride Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C2(C(=O)O)[NH3+])C3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H]([C@]2(C(=O)O)[NH3+])C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H17NO3.ClH/c1-21-13-9-7-12(8-10-13)15-14(17(15,18)16(19)20)11-5-3-2-4-6-11;/h2-10,14-15H,18H2,1H3,(H,19,20);1H/t14-,15-,17+;/m1./s1