4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propoxy]benzoate

Systemtic Name: 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propoxy]benzoate Openeye Name: 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propoxy]benzoate CAS Name: 4-[3-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propoxy]benzoate IUPAC Name: 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propoxy]benzoate Traditional Name: 4-[3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propoxy]benzoate Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCOC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-13-10-14(2)12-18(11-13)8-3-9-21-16-6-4-15(5-7-16)17(19)20/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,20)/t13-,14-/m1/s1