(2R)-2-(2-dimethylaminoethylazaniumyl)-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-dimethylaminoethylazaniumyl)-4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-dimethylaminoethylammonio)-4-(3,5-dimethylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-dimethylaminoethylammonio)-4-(3,5-dimethylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-dimethylaminoethylazaniumyl)-4-(3,5-dimethylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-dimethylaminoethylammonio)-4-(3,5-dimethylanilino)-4-keto-butyrate Formula: C16H25N3O3 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCN(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCN(C)C)C

InChI

InChI=1S/C16H25N3O3/c1-11-7-12(2)9-13(8-11)18-15(20)10-14(16(21)22)17-5-6-19(3)4/h7-9,14,17H,5-6,10H2,1-4H3,(H,18,20)(H,21,22)/t14-/m1/s1