4-[3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propoxy]benzoate

Systemtic Name: 4-[3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propoxy]benzoate Openeye Name: 4-[3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propoxy]benzoate CAS Name: 4-[3-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]propoxy]benzoate IUPAC Name: 4-[3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propoxy]benzoate Traditional Name: 4-[3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propoxy]benzoate Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCCOC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-13-5-3-6-14(2)18(13)11-4-12-21-16-9-7-15(8-10-16)17(19)20/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,19,20)/t13-,14-/m0/s1