(2R)-4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylammonio]-4-keto-butyrate Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2)CC[NH2+]C(CC(=O)C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2)CC[NH2+][C@H](CC(=O)C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C20H19BrN2O3/c21-15-7-5-13(6-8-15)19(24)12-18(20(25)26)22-10-9-16-11-14-3-1-2-4-17(14)23-16/h1-8,11,18,22-23H,9-10,12H2,(H,25,26)/t18-/m1/s1