(2S)-3-methyl-2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-ium-1-yl)butanoate

Systemtic Name: (2S)-3-methyl-2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-ium-1-yl)butanoate Openeye Name: (2S)-3-methyl-2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-ium-1-yl)butanoate CAS Name: (2S)-3-methyl-2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-ium-1-yl)butanoate IUPAC Name: (2S)-3-methyl-2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-ium-1-yl)butanoate Traditional Name: (2S)-3-methyl-2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-ium-1-yl)butyrate Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+](CCC2)C(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+](CCC2)[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C15H21NO2/c1-10(2)14(15(17)18)16-8-4-5-12-9-11(3)6-7-13(12)16/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,17,18)/t14-/m0/s1