1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-(phenylmethyl)piperazine iodide

Systemtic Name: 1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-(phenylmethyl)piperazine iodide Openeye Name: 1-benzyl-4-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)piperazine iodide CAS Name: 1-[5,5-dimethyl-3-(1-piperidin-1-iumylidene)-1-cyclohexenyl]-4-(phenylmethyl)piperazine iodide IUPAC Name: 1-benzyl-4-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)piperazine iodide Traditional Name: 1-benzyl-4-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)piperazine iodide Formula: C24H36IN3 MolecularWeight: 493.46721

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCCC2)C1)N3CCN(CC3)CC4=CC=CC=C4)C.[I-]

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCCC2)C1)N3CCN(CC3)CC4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C24H36N3.HI/c1-24(2)18-22(26-11-7-4-8-12-26)17-23(19-24)27-15-13-25(14-16-27)20-21-9-5-3-6-10-21;/h3,5-6,9-10,17H,4,7-8,11-16,18-20H2,1-2H3;1H/q+1;/p-1