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

Systemtic Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(6-azaniumylhexylammonio)-4-(2-methoxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-(6-ammoniohexylammonio)-4-(2-methoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(6-azaniumylhexylazaniumyl)-4-(2-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-(6-ammoniohexylammonio)-4-keto-4-(o-anisidino)butyrate Formula: C17H28N3O4+ MolecularWeight: 338.42192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CCCCCC[NH3+]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCCCC[NH3+]

InChI

InChI=1S/C17H27N3O4/c1-24-15-9-5-4-8-13(15)20-16(21)12-14(17(22)23)19-11-7-3-2-6-10-18/h4-5,8-9,14,19H,2-3,6-7,10-12,18H2,1H3,(H,20,21)(H,22,23)/p+1/t14-/m1/s1