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

Systemtic Name: dimethyl-octyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide Openeye Name: dimethyl-[(E)-1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)allyl]-octyl-ammonium iodide CAS Name: dimethyl-octyl-[(E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl]ammonium iodide IUPAC Name: dimethyl-octyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide Traditional Name: dimethyl-[(E)-1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)allyl]-octyl-ammonium iodide Formula: C23H44IN MolecularWeight: 461.50663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)C(C)C=CC1C(=CCCC1(C)C)C.[I-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)C(C)/C=C/C1C(=CCCC1(C)C)C.[I-]

InChI

InChI=1S/C23H44N.HI/c1-8-9-10-11-12-13-19-24(6,7)21(3)16-17-22-20(2)15-14-18-23(22,4)5;/h15-17,21-22H,8-14,18-19H2,1-7H3;1H/q+1;/p-1/b17-16+;