4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]benzoate Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H19NO2/c1-11-3-2-8-15(9-11)10-12-4-6-13(7-5-12)14(16)17/h4-7,11H,2-3,8-10H2,1H3,(H,16,17)/t11-/m0/s1