3-[[(3S)-3-(5-chloranyl-2-oxidanyl-phenyl)-3-phenyl-propanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-3-(5-chloranyl-2-oxidanyl-phenyl)-3-phenyl-propanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-3-(5-chloro-2-hydroxy-phenyl)-3-phenyl-propanoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-3-(5-chloro-2-hydroxyphenyl)-1-oxo-3-phenylpropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-3-(5-chloro-2-hydroxy-phenyl)-3-phenyl-propanoyl]amino]propyl-dimethyl-ammonium Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)CC(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C[NH+](C)CCCNC(=O)C[C@@H](C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C20H25ClN2O2/c1-23(2)12-6-11-22-20(25)14-17(15-7-4-3-5-8-15)18-13-16(21)9-10-19(18)24/h3-5,7-10,13,17,24H,6,11-12,14H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1