2-bromoethyl-dimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium bromide

Systemtic Name: 2-bromoethyl-dimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium bromide Openeye Name: 2-bromoethyl-dimethyl-[(E)-1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)allyl]ammonium bromide CAS Name: 2-bromoethyl-dimethyl-[(E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl]ammonium bromide IUPAC Name: 2-bromoethyl-dimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium bromide Traditional Name: 2-bromoethyl-dimethyl-[(E)-1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)allyl]ammonium bromide Formula: C17H31Br2N MolecularWeight: 409.24274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1C=CC(C)[N+](C)(C)CCBr)(C)C.[Br-]

Isomeric SMILES

CC1=CCCC(C1/C=C/C(C)[N+](C)(C)CCBr)(C)C.[Br-]

InChI

InChI=1S/C17H31BrN.BrH/c1-14-8-7-11-17(3,4)16(14)10-9-15(2)19(5,6)13-12-18;/h8-10,15-16H,7,11-13H2,1-6H3;1H/q+1;/p-1/b10-9+;