1,1-dimethyl-4-[4-(5-methylhexoxy)phenyl]piperidin-1-ium-4-carbonitrile

Systemtic Name: 1,1-dimethyl-4-[4-(5-methylhexoxy)phenyl]piperidin-1-ium-4-carbonitrile Openeye Name: 1,1-dimethyl-4-[4-(5-methylhexoxy)phenyl]piperidin-1-ium-4-carbonitrile CAS Name: 1,1-dimethyl-4-[4-(5-methylhexoxy)phenyl]-4-piperidin-1-iumcarbonitrile IUPAC Name: 1,1-dimethyl-4-[4-(5-methylhexoxy)phenyl]piperidin-1-ium-4-carbonitrile Traditional Name: 1,1-dimethyl-4-[4-(5-methylhexoxy)phenyl]piperidin-1-ium-4-carbonitrile Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCOC1=CC=C(C=C1)C2(CC[N+](CC2)(C)C)C#N

Isomeric SMILES

CC(C)CCCCOC1=CC=C(C=C1)C2(CC[N+](CC2)(C)C)C#N

InChI

InChI=1S/C21H33N2O/c1-18(2)7-5-6-16-24-20-10-8-19(9-11-20)21(17-22)12-14-23(3,4)15-13-21/h8-11,18H,5-7,12-16H2,1-4H3/q+1