2-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(5-thiophen-2-yl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C18H20N3O2S+ MolecularWeight: 342.4353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)C4=CC=CC=C4O

InChI

InChI=1S/C18H19N3O2S/c22-16-5-2-1-4-15(16)21-9-7-20(8-10-21)13-14-12-17(23-19-14)18-6-3-11-24-18/h1-6,11-12,22H,7-10,13H2/p+1