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

Systemtic Name: 4-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate Openeye Name: 4-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate CAS Name: 4-[3-(4-methyl-1-piperidin-1-iumyl)propoxy]benzoate IUPAC Name: 4-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate Traditional Name: 4-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-13-7-10-17(11-8-13)9-2-12-20-15-5-3-14(4-6-15)16(18)19/h3-6,13H,2,7-12H2,1H3,(H,18,19)