1-cyclohexa-1,3-dien-1-yl-2-[4-(1H-imidazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanol

Systemtic Name: 1-cyclohexa-1,3-dien-1-yl-2-[4-(1H-imidazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanol Openeye Name: 1-cyclohexa-1,3-dien-1-yl-2-[4-(1H-imidazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanol CAS Name: 1-(1-cyclohexa-1,3-dienyl)-2-[4-(1H-imidazol-2-yl)-1-methyl-1-piperazin-1-iumyl]ethanol IUPAC Name: 1-cyclohexa-1,3-dien-1-yl-2-[4-(1H-imidazol-2-yl)-1-methylpiperazin-1-ium-1-yl]ethanol Traditional Name: 1-cyclohexa-1,3-dien-1-yl-2-[4-(1H-imidazol-2-yl)-1-methyl-piperazin-1-ium-1-yl]ethanol Formula: C16H25N4O+ MolecularWeight: 289.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC=CN2)CC(C3=CC=CCC3)O

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC=CN2)CC(C3=CC=CCC3)O

InChI

InChI=1S/C16H25N4O/c1-20(13-15(21)14-5-3-2-4-6-14)11-9-19(10-12-20)16-17-7-8-18-16/h2-3,5,7-8,15,21H,4,6,9-13H2,1H3,(H,17,18)/q+1