4-(3-bromanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethyl-piperazin-1-ium

Systemtic Name: 4-(3-bromanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethyl-piperazin-1-ium Openeye Name: 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethyl-piperazin-1-ium CAS Name: 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethylpiperazin-1-ium IUPAC Name: 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethylpiperazin-1-ium Traditional Name: 4-(3-bromo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1,1-dimethyl-piperazin-1-ium Formula: C20H24BrN2S+ MolecularWeight: 404.38696

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Br)C

Isomeric SMILES

C[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Br)C

InChI

InChI=1S/C20H24BrN2S/c1-23(2)11-9-22(10-12-23)18-13-15-5-3-4-6-19(15)24-20-8-7-16(21)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/q+1