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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C25H26N3O2S+ MolecularWeight: 432.55784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)COCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)COCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H25N3O2S/c29-25(18-30-17-24-26-22-10-3-4-11-23(22)31-24)28-14-12-27(13-15-28)16-20-8-5-7-19-6-1-2-9-21(19)20/h1-11H,12-18H2/p+1