(3R)-3-[(4-phenethylphenyl)carbonylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[(4-phenethylphenyl)carbonylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[(4-phenethylbenzoyl)amino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[oxo-(4-phenethylphenyl)methyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[(4-phenethylbenzoyl)amino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[(4-phenethylbenzoyl)amino]-4-(trimethylammonio)butyrate Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)C1=CC=C(C=C1)CCC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3/c1-24(2,3)16-20(15-21(25)26)23-22(27)19-13-11-18(12-14-19)10-9-17-7-5-4-6-8-17/h4-8,11-14,20H,9-10,15-16H2,1-3H3,(H-,23,25,26,27)/t20-/m1/s1