(2R)-4-(4-bromophenyl)-2-(cyclohexylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-2-(cyclohexylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-2-(cyclohexylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-2-(cyclohexylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(4-bromophenyl)-2-(cyclohexylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(4-bromophenyl)-2-(cyclohexylammonio)-4-keto-butyrate Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C(CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+][C@H](CC(=O)C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C16H20BrNO3/c17-12-8-6-11(7-9-12)15(19)10-14(16(20)21)18-13-4-2-1-3-5-13/h6-9,13-14,18H,1-5,10H2,(H,20,21)/t14-/m1/s1