(2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-(4-methoxyanilino)-4-oxo-butanoate CAS Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-(4-methoxyanilino)-4-oxobutanoate IUPAC Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-(4-methoxyanilino)-4-oxobutanoate Traditional Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-keto-4-(p-anisidino)butyrate Formula: C16H26N3O4+ MolecularWeight: 324.39534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)OC)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)OC)C(=O)[O-]

InChI

InChI=1S/C16H25N3O4/c1-19(2)10-4-9-17-14(16(21)22)11-15(20)18-12-5-7-13(23-3)8-6-12/h5-8,14,17H,4,9-11H2,1-3H3,(H,18,20)(H,21,22)/p+1/t14-/m1/s1