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

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(2,5-dimethylanilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(2,5-dimethylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(2,5-dimethylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-(2,5-dimethylanilino)-4-keto-butyrate Formula: C15H24N3O3+ MolecularWeight: 294.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3/c1-10-4-5-11(2)12(8-10)18-14(19)9-13(15(20)21)17-7-3-6-16/h4-5,8,13,17H,3,6-7,9,16H2,1-2H3,(H,18,19)(H,20,21)/p+1/t13-/m1/s1