(2S)-3-methyl-2-[(3R)-3-methylpiperidin-1-ium-1-yl]butanoate

Systemtic Name: (2S)-3-methyl-2-[(3R)-3-methylpiperidin-1-ium-1-yl]butanoate Openeye Name: (2S)-3-methyl-2-[(3R)-3-methylpiperidin-1-ium-1-yl]butanoate CAS Name: (2S)-3-methyl-2-[(3R)-3-methyl-1-piperidin-1-iumyl]butanoate IUPAC Name: (2S)-3-methyl-2-[(3R)-3-methylpiperidin-1-ium-1-yl]butanoate Traditional Name: (2S)-3-methyl-2-[(3R)-3-methylpiperidin-1-ium-1-yl]butyrate Formula: C11H21NO2 MolecularWeight: 199.28994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C(C)C)C(=O)[O-]

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C11H21NO2/c1-8(2)10(11(13)14)12-6-4-5-9(3)7-12/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10+/m1/s1