2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxidanidyl-piperazin-1-ium-1-yl)ethoxy]ethanol

Systemtic Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxidanidyl-piperazin-1-ium-1-yl)ethoxy]ethanol Openeye Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxido-piperazin-1-ium-1-yl)ethoxy]ethanol CAS Name: 2-[2-[4-(6-benzo[b][1,4]benzothiazepinyl)-1-oxido-1-piperazin-1-iumyl]ethoxy]ethanol IUPAC Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxidopiperazin-1-ium-1-yl)ethoxy]ethanol Traditional Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxido-piperazin-1-ium-1-yl)ethoxy]ethanol Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C2=NC3=CC=CC=C3SC4=CC=CC=C42)(CCOCCO)[O-]

Isomeric SMILES

C1C[N+](CCN1C2=NC3=CC=CC=C3SC4=CC=CC=C42)(CCOCCO)[O-]

InChI

InChI=1S/C21H25N3O3S/c25-14-16-27-15-13-24(26)11-9-23(10-12-24)21-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2