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

Systemtic Name: 4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzoate Openeye Name: 4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzoate CAS Name: 4-[3-[(3S)-3-methyl-1-piperidin-1-iumyl]propoxy]benzoate IUPAC Name: 4-[3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]benzoate Traditional Name: 4-[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=C(C=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-13-4-2-9-17(12-13)10-3-11-20-15-7-5-14(6-8-15)16(18)19/h5-8,13H,2-4,9-12H2,1H3,(H,18,19)/t13-/m0/s1