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

Systemtic Name: 1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-(phenylmethyl)piperidine iodide Openeye Name: 4-benzyl-1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)piperidine iodide CAS Name: 1-[5,5-dimethyl-3-(1-piperidin-1-iumylidene)-1-cyclohexenyl]-4-(phenylmethyl)piperidine iodide IUPAC Name: 4-benzyl-1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)piperidine iodide Traditional Name: 4-benzyl-1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)piperidine iodide Formula: C25H37IN2 MolecularWeight: 492.47915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCCC2)C1)N3CCC(CC3)CC4=CC=CC=C4)C.[I-]

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCCC2)C1)N3CCC(CC3)CC4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C25H37N2.HI/c1-25(2)19-23(26-13-7-4-8-14-26)18-24(20-25)27-15-11-22(12-16-27)17-21-9-5-3-6-10-21;/h3,5-6,9-10,18,22H,4,7-8,11-17,19-20H2,1-2H3;1H/q+1;/p-1