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

Systemtic Name: 3-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Formula: C17H21N4O2S+ MolecularWeight: 345.43924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4OC3=S

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C17H20N4O2S/c1-13-10-14(18-23-13)11-19-6-8-20(9-7-19)12-21-15-4-2-3-5-16(15)22-17(21)24/h2-5,10H,6-9,11-12H2,1H3/p+1