(2R)-2-(6-azaniumylhexylazaniumyl)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-(3-chloroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-(3-chloroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-(3-chloroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-(3-chloroanilino)-4-keto-butyrate Formula: C16H25ClN3O3+ MolecularWeight: 342.841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O3/c17-12-6-5-7-13(10-12)20-15(21)11-14(16(22)23)19-9-4-2-1-3-8-18/h5-7,10,14,19H,1-4,8-9,11,18H2,(H,20,21)(H,22,23)/p+1/t14-/m1/s1