3-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzenecarbonitrile chloride

Systemtic Name: 3-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzenecarbonitrile chloride Openeye Name: 3-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzonitrile chloride CAS Name: 3-[3-(3-methyl-1-piperidin-1-iumyl)prop-1-ynyl]benzonitrile chloride IUPAC Name: 3-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzonitrile chloride Traditional Name: 3-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzonitrile chloride Formula: C16H19ClN2 MolecularWeight: 274.78846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2.ClH/c1-14-5-3-9-18(13-14)10-4-8-15-6-2-7-16(11-15)12-17;/h2,6-7,11,14H,3,5,9-10,13H2,1H3;1H