[(2S,3R)-3-cyclohexyloxy-1-oxidanylidene-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]butan-2-yl]azanium chloride

Systemtic Name: [(2S,3R)-3-cyclohexyloxy-1-oxidanylidene-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]butan-2-yl]azanium chloride Openeye Name: [(1S,2R)-1-[(2S)-2-benzyloxycarbonylpyrrolidine-1-carbonyl]-2-(cyclohexoxy)propyl]ammonium chloride CAS Name: [(2S,3R)-3-cyclohexyloxy-1-oxo-1-[(2S)-2-phenylmethoxycarbonyl-1-pyrrolidinyl]butan-2-yl]ammonium chloride IUPAC Name: [(2S,3R)-3-cyclohexyloxy-1-oxo-1-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]butan-2-yl]azanium chloride Traditional Name: [(1S,2R)-1-[(2S)-2-carbobenzoxypyrrolidine-1-carbonyl]-2-(cyclohexoxy)propyl]ammonium chloride Formula: C22H33ClN2O4 MolecularWeight: 424.96142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)[NH3+])OC3CCCCC3.[Cl-]

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)OCC2=CC=CC=C2)[NH3+])OC3CCCCC3.[Cl-]

InChI

InChI=1S/C22H32N2O4.ClH/c1-16(28-18-11-6-3-7-12-18)20(23)21(25)24-14-8-13-19(24)22(26)27-15-17-9-4-2-5-10-17;/h2,4-5,9-10,16,18-20H,3,6-8,11-15,23H2,1H3;1H/t16-,19+,20+;/m1./s1