2-[4-(3-chloranyl-11-oxidanylidene-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidanidyl-piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(3-chloranyl-11-oxidanylidene-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidanidyl-piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxido-piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxido-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(3-chloro-11-keto-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxido-piperazin-1-ium-1-yl]ethanol Formula: C20H23ClN2O3S MolecularWeight: 406.92622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C2CC3=C(C=CC(=C3)Cl)S(=O)C4=CC=CC=C24)(CCO)[O-]

Isomeric SMILES

C1C[N+](CCN1C2CC3=C(C=CC(=C3)Cl)S(=O)C4=CC=CC=C24)(CCO)[O-]

InChI

InChI=1S/C20H23ClN2O3S/c21-16-5-6-19-15(13-16)14-18(17-3-1-2-4-20(17)27(19)26)22-7-9-23(25,10-8-22)11-12-24/h1-6,13,18,24H,7-12,14H2