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

Systemtic Name: dimethyl-propyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium bromide Openeye Name: dimethyl-[(E)-1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)allyl]-propyl-ammonium bromide CAS Name: dimethyl-propyl-[(E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl]ammonium bromide IUPAC Name: dimethyl-propyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium bromide Traditional Name: dimethyl-[(E)-1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)allyl]-propyl-ammonium bromide Formula: C18H34BrN MolecularWeight: 344.37326

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C(C)C=CC1C(=CCCC1(C)C)C.[Br-]

Isomeric SMILES

CCC[N+](C)(C)C(C)/C=C/C1C(=CCCC1(C)C)C.[Br-]

InChI

InChI=1S/C18H34N.BrH/c1-8-14-19(6,7)16(3)11-12-17-15(2)10-9-13-18(17,4)5;/h10-12,16-17H,8-9,13-14H2,1-7H3;1H/q+1;/p-1/b12-11+;