1-methyl-1-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]pyrrolidin-1-ium iodide

Systemtic Name: 1-methyl-1-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]pyrrolidin-1-ium iodide Openeye Name: 1-methyl-1-[(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)allyl]pyrrolidin-1-ium iodide CAS Name: 1-methyl-1-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl]pyrrolidin-1-ium iodide IUPAC Name: 1-methyl-1-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]pyrrolidin-1-ium iodide Traditional Name: 1-methyl-1-[(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)allyl]pyrrolidin-1-ium iodide Formula: C18H32IN MolecularWeight: 389.35785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(C)[N+]2(CCCC2)C.[I-]

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(C)[N+]2(CCCC2)C.[I-]

InChI

InChI=1S/C18H32N.HI/c1-15-9-8-12-18(3,4)17(15)11-10-16(2)19(5)13-6-7-14-19;/h10-11,16H,6-9,12-14H2,1-5H3;1H/q+1;/p-1/b11-10+;