[(1S,2R)-2-ethoxycarbonyl-2-phenyl-cyclopropyl]methyl-methyl-phenethyl-azanium chloride

Systemtic Name: [(1S,2R)-2-ethoxycarbonyl-2-phenyl-cyclopropyl]methyl-methyl-phenethyl-azanium chloride Openeye Name: [(1S,2R)-2-ethoxycarbonyl-2-phenyl-cyclopropyl]methyl-methyl-phenethyl-ammonium chloride CAS Name: [(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-methyl-phenethylammonium chloride IUPAC Name: [(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl-methyl-phenethylazanium chloride Traditional Name: [(1S,2R)-2-carbethoxy-2-phenyl-cyclopropyl]methyl-methyl-phenethyl-ammonium chloride Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1C[NH+](C)CCC2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCOC(=O)[C@@]1(C[C@@H]1C[NH+](C)CCC2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H27NO2.ClH/c1-3-25-21(24)22(19-12-8-5-9-13-19)16-20(22)17-23(2)15-14-18-10-6-4-7-11-18;/h4-13,20H,3,14-17H2,1-2H3;1H/t20-,22+;/m1./s1