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

Systemtic Name: 1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)-4-(diphenylmethyl)piperazine iodide Openeye Name: 1-benzhydryl-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-(diphenylmethyl)piperazine iodide IUPAC Name: 1-benzhydryl-4-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)piperazine iodide Traditional Name: 1-benzhydryl-4-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cyclohexen-1-yl)piperazine iodide Formula: C30H40IN3 MolecularWeight: 569.56317

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=[N+]2CCCCC2)C1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C.[I-]

Isomeric SMILES

CC1(CC(=CC(=[N+]2CCCCC2)C1)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C.[I-]

InChI

InChI=1S/C30H40N3.HI/c1-30(2)23-27(31-16-10-5-11-17-31)22-28(24-30)32-18-20-33(21-19-32)29(25-12-6-3-7-13-25)26-14-8-4-9-15-26;/h3-4,6-9,12-15,22,29H,5,10-11,16-21,23-24H2,1-2H3;1H/q+1;/p-1