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

Systemtic Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol Openeye Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol CAS Name: 2-[2-[4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazin-1-iumyl]ethoxy]ethanol IUPAC Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol Traditional Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C1CN(CC[NH+]1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2/p+1