(2S)-2-(2-dimethylaminoethylazaniumyl)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-(2-dimethylaminoethylazaniumyl)-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(2-dimethylaminoethylammonio)-4-(2-methoxyanilino)-4-oxo-butanoate CAS Name: (2S)-2-(2-dimethylaminoethylammonio)-4-(2-methoxyanilino)-4-oxobutanoate IUPAC Name: (2S)-2-(2-dimethylaminoethylazaniumyl)-4-(2-methoxyanilino)-4-oxobutanoate Traditional Name: (2S)-2-(2-dimethylaminoethylammonio)-4-keto-4-(o-anisidino)butyrate Formula: C15H23N3O4 MolecularWeight: 309.36082

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH2+]C(CC(=O)NC1=CC=CC=C1OC)C(=O)[O-]

Isomeric SMILES

CN(C)CC[NH2+][C@@H](CC(=O)NC1=CC=CC=C1OC)C(=O)[O-]

InChI

InChI=1S/C15H23N3O4/c1-18(2)9-8-16-12(15(20)21)10-14(19)17-11-6-4-5-7-13(11)22-3/h4-7,12,16H,8-10H2,1-3H3,(H,17,19)(H,20,21)/t12-/m0/s1