4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-methyl-3-isoxazolyl)methyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C18H25N4OS+ MolecularWeight: 345.4823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C18H24N4OS/c1-15-13-17(20-23-15)14-21-9-11-22(12-10-21)18(24)19-8-7-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3,(H,19,24)/p+1