4-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-ium-1-yl]butan-1-ol

Systemtic Name: 4-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-ium-1-yl]butan-1-ol Openeye Name: 4-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-ium-1-yl]butan-1-ol CAS Name: 4-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-piperazin-1-iumyl]-1-butanol IUPAC Name: 4-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-ium-1-yl]butan-1-ol Traditional Name: 4-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-ium-1-yl]butan-1-ol Formula: C18H27N4O+ MolecularWeight: 315.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCO)CC2=CN=C(N2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCCO)CC2=CN=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C18H26N4O/c23-13-5-4-8-21-9-11-22(12-10-21)15-17-14-19-18(20-17)16-6-2-1-3-7-16/h1-3,6-7,14,23H,4-5,8-13,15H2,(H,19,20)/p+1