2-[4-(9-fluoranyl-11-oxidanylidene-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidanidyl-piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(9-fluoranyl-11-oxidanylidene-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidanidyl-piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(9-fluoro-3-isopropyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxido-piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(9-fluoro-11-oxo-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxido-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(9-fluoro-11-oxo-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(9-fluoro-3-isopropyl-11-keto-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxido-piperazin-1-ium-1-yl]ethanol Formula: C23H29FN2O3S MolecularWeight: 432.551363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)S(=O)C3=C(CC2N4CC[N+](CC4)(CCO)[O-])C=CC(=C3)F

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)S(=O)C3=C(CC2N4CC[N+](CC4)(CCO)[O-])C=CC(=C3)F

InChI

InChI=1S/C23H29FN2O3S/c1-16(2)17-4-6-22-20(13-17)21(25-7-9-26(28,10-8-25)11-12-27)14-18-3-5-19(24)15-23(18)30(22)29/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3