(2R)-2-(3-azaniumylpropylazaniumyl)-4-[(4-ethylphenyl)amino]-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+]

InChI

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