2-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]benzenecarbonitrile

Systemtic Name: 2-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]benzenecarbonitrile Openeye Name: 2-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]benzonitrile CAS Name: 2-[4-(4-methyl-1-piperidin-1-iumyl)butoxy]benzonitrile IUPAC Name: 2-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]benzonitrile Traditional Name: 2-[4-(4-methylpiperidin-1-ium-1-yl)butoxy]benzonitrile Formula: C17H25N2O+ MolecularWeight: 273.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCCOC2=CC=CC=C2C#N

Isomeric SMILES

CC1CC[NH+](CC1)CCCCOC2=CC=CC=C2C#N

InChI

InChI=1S/C17H24N2O/c1-15-8-11-19(12-9-15)10-4-5-13-20-17-7-3-2-6-16(17)14-18/h2-3,6-7,15H,4-5,8-13H2,1H3/p+1