4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-2-(pentylazaniumyl)butanoate Openeye Name: 4-(2,4-dimethylanilino)-4-oxo-2-(pentylammonio)butanoate CAS Name: 4-(2,4-dimethylanilino)-4-oxo-2-(pentylammonio)butanoate IUPAC Name: 4-(2,4-dimethylanilino)-4-oxo-2-(pentylazaniumyl)butanoate Traditional Name: 2-(amylammonio)-4-(2,4-dimethylanilino)-4-keto-butyrate Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-4-5-6-9-18-15(17(21)22)11-16(20)19-14-8-7-12(2)10-13(14)3/h7-8,10,15,18H,4-6,9,11H2,1-3H3,(H,19,20)(H,21,22)