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

Systemtic Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-methyl-piperazine iodide Openeye Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-methyl-piperazine iodide CAS Name: 1-[5,5-dimethyl-3-(1-pyrrolidin-1-iumylidene)-1-cyclohexenyl]-4-methylpiperazine iodide IUPAC Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-4-methylpiperazine iodide Traditional Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-methyl-piperazine iodide Formula: C17H30IN3 MolecularWeight: 403.34467

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCC2)C1)N3CCN(CC3)C)C.[I-]

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCC2)C1)N3CCN(CC3)C)C.[I-]

InChI

InChI=1S/C17H30N3.HI/c1-17(2)13-15(19-6-4-5-7-19)12-16(14-17)20-10-8-18(3)9-11-20;/h12H,4-11,13-14H2,1-3H3;1H/q+1;/p-1