(2R)-2-(3-azaniumylpropylazaniumyl)-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(3-chloro-2-methyl-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(3-chloro-2-methylanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(3-chloro-2-methylanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-(3-chloro-2-methyl-anilino)-4-keto-butyrate Formula: C14H21ClN3O3+ MolecularWeight: 314.78784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+]

InChI

InChI=1S/C14H20ClN3O3/c1-9-10(15)4-2-5-11(9)18-13(19)8-12(14(20)21)17-7-3-6-16/h2,4-5,12,17H,3,6-8,16H2,1H3,(H,18,19)(H,20,21)/p+1/t12-/m1/s1