1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-ylidene)azepan-1-ium iodide

Systemtic Name: 1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-ylidene)azepan-1-ium iodide Openeye Name: 1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-ylidene)azepan-1-ium iodide CAS Name: 1-[5,5-dimethyl-3-(1-pyrrolidinyl)-1-cyclohex-2-enylidene]azepan-1-ium iodide IUPAC Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)azepan-1-ium iodide Traditional Name: 1-(5,5-dimethyl-3-pyrrolidino-cyclohex-2-en-1-ylidene)azepan-1-ium iodide Formula: C18H31IN2 MolecularWeight: 402.35661

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCCCC2)C1)N3CCCC3)C.[I-]

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCCCC2)C1)N3CCCC3)C.[I-]

InChI

InChI=1S/C18H31N2.HI/c1-18(2)14-16(19-9-5-3-4-6-10-19)13-17(15-18)20-11-7-8-12-20;/h13H,3-12,14-15H2,1-2H3;1H/q+1;/p-1