(2R)-4-[(4-dimethylaminophenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-dimethylaminophenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2R)-4-[4-(dimethylamino)anilino]-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2R)-4-[4-(dimethylamino)anilino]-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2R)-4-[4-(dimethylamino)anilino]-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2R)-4-[4-(dimethylamino)anilino]-4-keto-2-(phenethylammonio)butyrate Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O3/c1-23(2)17-10-8-16(9-11-17)22-19(24)14-18(20(25)26)21-13-12-15-6-4-3-5-7-15/h3-11,18,21H,12-14H2,1-2H3,(H,22,24)(H,25,26)/t18-/m1/s1