1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-ethyl-piperazine iodide

Systemtic Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-ethyl-piperazine iodide Openeye Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-ethyl-piperazine iodide CAS Name: 1-[5,5-dimethyl-3-(1-pyrrolidin-1-iumylidene)-1-cyclohexenyl]-4-ethylpiperazine iodide IUPAC Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-4-ethylpiperazine iodide Traditional Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-ethyl-piperazine iodide Formula: C18H32IN3 MolecularWeight: 417.37125

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=[N+]3CCCC3)CC(C2)(C)C.[I-]

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=[N+]3CCCC3)CC(C2)(C)C.[I-]

InChI

InChI=1S/C18H32N3.HI/c1-4-19-9-11-21(12-10-19)17-13-16(14-18(2,3)15-17)20-7-5-6-8-20;/h13H,4-12,14-15H2,1-3H3;1H/q+1;/p-1