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

Systemtic Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[4-(2-adamantyl)-1-piperazin-4-iumyl]methyl]-4-(1H-pyridin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C26H34N3O+ MolecularWeight: 404.56766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)CC5=CC(=C6C=CC=CN6)C=CC5=O

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)CC5=CC(=C6C=CC=CN6)C=CC5=O

InChI

InChI=1S/C26H33N3O/c30-25-5-4-20(24-3-1-2-6-27-24)16-23(25)17-28-7-9-29(10-8-28)26-21-12-18-11-19(14-21)15-22(26)13-18/h1-6,16,18-19,21-22,26-27H,7-15,17H2/p+1