(2R)-2-(2-diethylaminoethylazaniumyl)-4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-diethylaminoethylazaniumyl)-4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-diethylaminoethylammonio)-4-(4-hydroxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-diethylaminoethylammonio)-4-(4-hydroxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-diethylaminoethylazaniumyl)-4-(4-hydroxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-diethylaminoethylammonio)-4-(4-hydroxyanilino)-4-keto-butyrate Formula: C16H25N3O4 MolecularWeight: 323.3874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]C(CC(=O)NC1=CC=C(C=C1)O)C(=O)[O-]

Isomeric SMILES

CCN(CC)CC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)O)C(=O)[O-]

InChI

InChI=1S/C16H25N3O4/c1-3-19(4-2)10-9-17-14(16(22)23)11-15(21)18-12-5-7-13(20)8-6-12/h5-8,14,17,20H,3-4,9-11H2,1-2H3,(H,18,21)(H,22,23)/t14-/m1/s1