1-(8-chloranyl-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-1-oxidanidyl-piperazin-1-ium

Systemtic Name: 1-(8-chloranyl-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-1-oxidanidyl-piperazin-1-ium Openeye Name: 1-(8-chloro-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-1-oxido-piperazin-1-ium CAS Name: 1-(8-chloro-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-1-oxidopiperazin-1-ium IUPAC Name: 1-(8-chloro-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-1-oxidopiperazin-1-ium Traditional Name: 1-(8-chloro-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-1-oxido-piperazin-1-ium Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(C2CC3=CC(=C(C=C3SC4=C2C=C(C=C4)Cl)OC)OC)[O-]

Isomeric SMILES

CN1CC[N+](CC1)(C2CC3=CC(=C(C=C3SC4=C2C=C(C=C4)Cl)OC)OC)[O-]

InChI

InChI=1S/C21H25ClN2O3S/c1-23-6-8-24(25,9-7-23)17-10-14-11-18(26-2)19(27-3)13-21(14)28-20-5-4-15(22)12-16(17)20/h4-5,11-13,17H,6-10H2,1-3H3