(2S)-4-[(3,4-dimethylphenyl)amino]-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(3,4-dimethylphenyl)amino]-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(3,4-dimethylanilino)-2-(3-morpholinopropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(3,4-dimethylanilino)-2-[3-(4-morpholinyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(3,4-dimethylanilino)-2-(3-morpholin-4-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(3,4-dimethylanilino)-4-keto-2-(3-morpholinopropylammonio)butyrate Formula: C19H29N3O4 MolecularWeight: 363.45126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CCCN2CCOCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCCN2CCOCC2)C

InChI

InChI=1S/C19H29N3O4/c1-14-4-5-16(12-15(14)2)21-18(23)13-17(19(24)25)20-6-3-7-22-8-10-26-11-9-22/h4-5,12,17,20H,3,6-11,13H2,1-2H3,(H,21,23)(H,24,25)/t17-/m0/s1