2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate

Systemtic Name: 2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate Openeye Name: 2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate CAS Name: 2-[3-(4-methyl-1-piperidin-1-iumyl)propoxy]benzoate IUPAC Name: 2-[3-(4-methylpiperidin-1-ium-1-yl)propoxy]benzoate Traditional Name: 2-[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=CC=C2C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCCOC2=CC=CC=C2C(=O)[O-]

InChI

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