2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[4-(2-adamantyl)-1-piperazin-4-iumyl]methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)CC5=CC(=C6NC=CC=N6)C=CC5=O

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)CC5=CC(=C6NC=CC=N6)C=CC5=O

InChI

InChI=1S/C25H32N4O/c30-23-3-2-19(25-26-4-1-5-27-25)15-22(23)16-28-6-8-29(9-7-28)24-20-11-17-10-18(13-20)14-21(24)12-17/h1-5,15,17-18,20-21,24,26H,6-14,16H2/p+1