4-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]benzenecarbonitrile

Systemtic Name: 4-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]benzenecarbonitrile Openeye Name: 4-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]benzonitrile CAS Name: 4-[4-(4-methyl-1-piperidin-1-iumyl)butoxy]benzonitrile IUPAC Name: 4-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]benzonitrile Traditional Name: 4-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]benzonitrile Formula: C17H25N2O+ MolecularWeight: 273.3932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H24N2O/c1-15-8-11-19(12-9-15)10-2-3-13-20-17-6-4-16(14-18)5-7-17/h4-7,15H,2-3,8-13H2,1H3/p+1