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

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(3,4-dimethylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(3,4-dimethylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(3,4-dimethylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-(3,4-dimethylanilino)-4-keto-butyrate Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC[NH3+])C

InChI

InChI=1S/C14H21N3O3/c1-9-3-4-11(7-10(9)2)17-13(18)8-12(14(19)20)16-6-5-15/h3-4,7,12,16H,5-6,8,15H2,1-2H3,(H,17,18)(H,19,20)/p+1/t12-/m1/s1