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

Systemtic Name: 1,1-dimethyl-4-[4-(5-methylhexoxy)phenyl]piperidin-1-ium-4-carbonitrile bromide Openeye Name: 1,1-dimethyl-4-[4-(5-methylhexoxy)phenyl]piperidin-1-ium-4-carbonitrile bromide CAS Name: 1,1-dimethyl-4-[4-(5-methylhexoxy)phenyl]-4-piperidin-1-iumcarbonitrile bromide IUPAC Name: 1,1-dimethyl-4-[4-(5-methylhexoxy)phenyl]piperidin-1-ium-4-carbonitrile bromide Traditional Name: 1,1-dimethyl-4-[4-(5-methylhexoxy)phenyl]piperidin-1-ium-4-carbonitrile bromide Formula: C21H33BrN2O MolecularWeight: 409.40352

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H33N2O.BrH/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;1H/q+1;/p-1