2-(butylazaniumyl)-4-[(2-ethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 2-(butylazaniumyl)-4-[(2-ethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 2-(butylammonio)-4-(2-ethylanilino)-4-oxo-butanoate CAS Name: 2-(butylammonio)-4-(2-ethylanilino)-4-oxobutanoate IUPAC Name: 2-(butylazaniumyl)-4-(2-ethylanilino)-4-oxobutanoate Traditional Name: 2-(butylammonio)-4-(2-ethylanilino)-4-keto-butyrate Formula: C16H24N2O3 MolecularWeight: 292.37336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C(CC(=O)NC1=CC=CC=C1CC)C(=O)[O-]

Isomeric SMILES

CCCC[NH2+]C(CC(=O)NC1=CC=CC=C1CC)C(=O)[O-]

InChI

InChI=1S/C16H24N2O3/c1-3-5-10-17-14(16(20)21)11-15(19)18-13-9-7-6-8-12(13)4-2/h6-9,14,17H,3-5,10-11H2,1-2H3,(H,18,19)(H,20,21)