(2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-(4-ethoxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-(4-ethoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-(4-ethoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-keto-4-(p-phenetidino)butyrate Formula: C17H28N3O4+ MolecularWeight: 338.42192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C17H27N3O4/c1-4-24-14-8-6-13(7-9-14)19-16(21)12-15(17(22)23)18-10-5-11-20(2)3/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,19,21)(H,22,23)/p+1/t15-/m1/s1