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

Systemtic Name: heptyl-dimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide Openeye Name: heptyl-dimethyl-[(E)-1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)allyl]ammonium iodide CAS Name: heptyl-dimethyl-[(E)-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-yl]ammonium iodide IUPAC Name: heptyl-dimethyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide Traditional Name: heptyl-dimethyl-[(E)-1-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-yl)allyl]ammonium iodide Formula: C22H42IN MolecularWeight: 447.48005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42N.HI/c1-8-9-10-11-12-18-23(6,7)20(3)15-16-21-19(2)14-13-17-22(21,4)5;/h14-16,20-21H,8-13,17-18H2,1-7H3;1H/q+1;/p-1/b16-15+;