(2S)-2-[[4-[2-(dimethylazaniumyl)ethoxy]phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[4-[2-(dimethylazaniumyl)ethoxy]phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[[4-[2-(dimethylammonio)ethoxy]benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[4-[2-(dimethylammonio)ethoxy]phenyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[4-[2-(dimethylazaniumyl)ethoxy]benzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-[2-(dimethylammonio)ethoxy]benzoyl]amino]-3-methyl-butyrate Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC=C(C=C1)OCC[NH+](C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC=C(C=C1)OCC[NH+](C)C

InChI

InChI=1S/C16H24N2O4/c1-11(2)14(16(20)21)17-15(19)12-5-7-13(8-6-12)22-10-9-18(3)4/h5-8,11,14H,9-10H2,1-4H3,(H,17,19)(H,20,21)/t14-/m0/s1