4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-2-one CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-2-piperazin-4-iumone IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-2-one Formula: C12H14N3OS+ MolecularWeight: 248.32406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C12H13N3OS/c16-11-7-15(6-5-13-11)8-12-14-9-3-1-2-4-10(9)17-12/h1-4H,5-8H2,(H,13,16)/p+1