4-[(2,4-dimethoxyphenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2,4-dimethoxyphenyl)amino]-2-(3-methoxypropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: 4-(2,4-dimethoxyanilino)-2-(3-methoxypropylammonio)-4-oxo-butanoate CAS Name: 4-(2,4-dimethoxyanilino)-2-(3-methoxypropylammonio)-4-oxobutanoate IUPAC Name: 4-(2,4-dimethoxyanilino)-2-(3-methoxypropylazaniumyl)-4-oxobutanoate Traditional Name: 4-(2,4-dimethoxyanilino)-4-keto-2-(3-methoxypropylammonio)butyrate Formula: C16H24N2O6 MolecularWeight: 340.37156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O6/c1-22-8-4-7-17-13(16(20)21)10-15(19)18-12-6-5-11(23-2)9-14(12)24-3/h5-6,9,13,17H,4,7-8,10H2,1-3H3,(H,18,19)(H,20,21)