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

Systemtic Name: 3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzoate Openeye Name: 3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzoate CAS Name: 3-[3-[(3S)-3-methyl-1-piperidin-1-iumyl]propoxy]benzoate IUPAC Name: 3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzoate Traditional Name: 3-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzoate Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-13-5-3-8-17(12-13)9-4-10-20-15-7-2-6-14(11-15)16(18)19/h2,6-7,11,13H,3-5,8-10,12H2,1H3,(H,18,19)/t13-/m0/s1