1-[3-(3-chloranyl-5-methoxy-phenyl)prop-2-ynyl]-3-methyl-piperidin-1-ium chloride

Systemtic Name: 1-[3-(3-chloranyl-5-methoxy-phenyl)prop-2-ynyl]-3-methyl-piperidin-1-ium chloride Openeye Name: 1-[3-(3-chloro-5-methoxy-phenyl)prop-2-ynyl]-3-methyl-piperidin-1-ium chloride CAS Name: 1-[3-(3-chloro-5-methoxyphenyl)prop-2-ynyl]-3-methylpiperidin-1-ium chloride IUPAC Name: 1-[3-(3-chloro-5-methoxyphenyl)prop-2-ynyl]-3-methylpiperidin-1-ium chloride Traditional Name: 1-[3-(3-chloro-5-methoxy-phenyl)prop-2-ynyl]-3-methyl-piperidin-1-ium chloride Formula: C16H21Cl2NO MolecularWeight: 314.25004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC#CC2=CC(=CC(=C2)Cl)OC.[Cl-]

Isomeric SMILES

CC1CCC[NH+](C1)CC#CC2=CC(=CC(=C2)Cl)OC.[Cl-]

InChI

InChI=1S/C16H20ClNO.ClH/c1-13-5-3-7-18(12-13)8-4-6-14-9-15(17)11-16(10-14)19-2;/h9-11,13H,3,5,7-8,12H2,1-2H3;1H