(3R)-4-azanyl-3-(3,4-dichlorophenyl)-4-oxidanylidene-butanoate; [(1S)-1-phenylethyl]azanium

Systemtic Name: (3R)-4-azanyl-3-(3,4-dichlorophenyl)-4-oxidanylidene-butanoate; [(1S)-1-phenylethyl]azanium Openeye Name: (3R)-4-amino-3-(3,4-dichlorophenyl)-4-oxo-butanoate; [(1S)-1-phenylethyl]ammonium CAS Name: (3R)-4-amino-3-(3,4-dichlorophenyl)-4-oxobutanoate; [(1S)-1-phenylethyl]ammonium IUPAC Name: (3R)-4-amino-3-(3,4-dichlorophenyl)-4-oxobutanoate; [(1S)-1-phenylethyl]azanium Traditional Name: (3R)-4-amino-3-(3,4-dichlorophenyl)-4-keto-butyrate; [(1S)-1-phenylethyl]ammonium Formula: C18H20Cl2N2O3 MolecularWeight: 383.269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH3+].C1=CC(=C(C=C1C(CC(=O)[O-])C(=O)N)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C10H9Cl2NO3.C8H11N/c11-7-2-1-5(3-8(7)12)6(10(13)16)4-9(14)15;1-7(9)8-5-3-2-4-6-8/h1-3,6H,4H2,(H2,13,16)(H,14,15);2-7H,9H2,1H3/t6-;7-/m10/s1