1-methyl-4-[(5R)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[(5R)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Openeye Name: 1-methyl-4-[(5R)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium CAS Name: 1-methyl-4-[(5R)-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium IUPAC Name: 1-methyl-4-[(5R)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Traditional Name: 1-methyl-4-[(5R)-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Formula: C20H25N2S2+ MolecularWeight: 357.5559

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC

InChI

InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/p+1/t18-/m1/s1