4-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzenecarbonitrile chloride

Systemtic Name: 4-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzenecarbonitrile chloride Openeye Name: 4-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzonitrile chloride CAS Name: 4-[3-(3-methyl-1-piperidin-1-iumyl)prop-1-ynyl]benzonitrile chloride IUPAC Name: 4-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzonitrile chloride Traditional Name: 4-[3-(3-methylpiperidin-1-ium-1-yl)prop-1-ynyl]benzonitrile chloride Formula: C16H19ClN2 MolecularWeight: 274.78846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2.ClH/c1-14-4-2-10-18(13-14)11-3-5-15-6-8-16(12-17)9-7-15;/h6-9,14H,2,4,10-11,13H2,1H3;1H