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

Systemtic Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-phenyl-piperazine iodide Openeye Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-phenyl-piperazine iodide CAS Name: 1-[5,5-dimethyl-3-(1-pyrrolidin-1-iumylidene)-1-cyclohexenyl]-4-phenylpiperazine iodide IUPAC Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidenecyclohexen-1-yl)-4-phenylpiperazine iodide Traditional Name: 1-(5,5-dimethyl-3-pyrrolidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-phenyl-piperazine iodide Formula: C22H32IN3 MolecularWeight: 465.41405

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCC2)C1)N3CCN(CC3)C4=CC=CC=C4)C.[I-]

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCC2)C1)N3CCN(CC3)C4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C22H32N3.HI/c1-22(2)17-20(23-10-6-7-11-23)16-21(18-22)25-14-12-24(13-15-25)19-8-4-3-5-9-19;/h3-5,8-9,16H,6-7,10-15,17-18H2,1-2H3;1H/q+1;/p-1