2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Formula: C21H24N3O2S+ MolecularWeight: 382.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S/c25-21(16-26-15-20-22-18-8-4-5-9-19(18)27-20)24-12-10-23(11-13-24)14-17-6-2-1-3-7-17/h1-9H,10-16H2/p+1