2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[4-(2-adamantyl)-1-piperazin-4-iumyl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C27H36N3O2+ MolecularWeight: 434.59364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)CN3CC[NH+](CC3)C4C5CC6CC(C5)CC4C6)N1

Isomeric SMILES

COC1=CC=CC(=C2C=CC(=O)C(=C2)CN3CC[NH+](CC3)C4C5CC6CC(C5)CC4C6)N1

InChI

InChI=1S/C27H35N3O2/c1-32-26-4-2-3-24(28-26)20-5-6-25(31)23(16-20)17-29-7-9-30(10-8-29)27-21-12-18-11-19(14-21)15-22(27)13-18/h2-6,16,18-19,21-22,27-28H,7-15,17H2,1H3/p+1