3-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-1-benzofuran-2-carboxylic acid chloride

Systemtic Name: 3-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-1-benzofuran-2-carboxylic acid chloride Openeye Name: 3-[3-(2-methylpiperidin-1-ium-1-yl)propyl]benzofuran-2-carboxylic acid chloride CAS Name: 3-[3-(2-methyl-1-piperidin-1-iumyl)propyl]-2-benzofurancarboxylic acid chloride IUPAC Name: 3-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-1-benzofuran-2-carboxylic acid chloride Traditional Name: 3-[3-(2-methylpiperidin-1-ium-1-yl)propyl]coumarilic acid chloride Formula: C18H24ClNO3 MolecularWeight: 337.84106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCC2=C(OC3=CC=CC=C32)C(=O)O.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CCCC2=C(OC3=CC=CC=C32)C(=O)O.[Cl-]

InChI

InChI=1S/C18H23NO3.ClH/c1-13-7-4-5-11-19(13)12-6-9-15-14-8-2-3-10-16(14)22-17(15)18(20)21;/h2-3,8,10,13H,4-7,9,11-12H2,1H3,(H,20,21);1H