(2R)-2-(2-diethylaminoethylazaniumyl)-4-[(2,3-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-diethylaminoethylazaniumyl)-4-[(2,3-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-diethylaminoethylammonio)-4-(2,3-dimethylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-diethylaminoethylammonio)-4-(2,3-dimethylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-diethylaminoethylazaniumyl)-4-(2,3-dimethylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-diethylaminoethylammonio)-4-(2,3-dimethylanilino)-4-keto-butyrate Formula: C18H29N3O3 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]C(CC(=O)NC1=CC=CC(=C1C)C)C(=O)[O-]

Isomeric SMILES

CCN(CC)CC[NH2+][C@H](CC(=O)NC1=CC=CC(=C1C)C)C(=O)[O-]

InChI

InChI=1S/C18H29N3O3/c1-5-21(6-2)11-10-19-16(18(23)24)12-17(22)20-15-9-7-8-13(3)14(15)4/h7-9,16,19H,5-6,10-12H2,1-4H3,(H,20,22)(H,23,24)/t16-/m1/s1