4-(4-butoxyphenyl)-1,1-dimethyl-piperidin-1-ium-4-carbonitrile bromide

Systemtic Name: 4-(4-butoxyphenyl)-1,1-dimethyl-piperidin-1-ium-4-carbonitrile bromide Openeye Name: 4-(4-butoxyphenyl)-1,1-dimethyl-piperidin-1-ium-4-carbonitrile bromide CAS Name: 4-(4-butoxyphenyl)-1,1-dimethyl-4-piperidin-1-iumcarbonitrile bromide IUPAC Name: 4-(4-butoxyphenyl)-1,1-dimethylpiperidin-1-ium-4-carbonitrile bromide Traditional Name: 4-(4-butoxyphenyl)-1,1-dimethyl-piperidin-1-ium-4-carbonitrile bromide Formula: C18H27BrN2O MolecularWeight: 367.32378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N2O.BrH/c1-4-5-14-21-17-8-6-16(7-9-17)18(15-19)10-12-20(2,3)13-11-18;/h6-9H,4-5,10-14H2,1-3H3;1H/q+1;/p-1