1-benzo[b][1]benzothiepin-5-yl-4-methyl-piperazin-4-ium

Systemtic Name: 1-benzo[b][1]benzothiepin-5-yl-4-methyl-piperazin-4-ium Openeye Name: 1-benzo[b][1]benzothiepin-5-yl-4-methyl-piperazin-4-ium CAS Name: 1-(5-benzo[b][1]benzothiepinyl)-4-methylpiperazin-4-ium IUPAC Name: 1-benzo[b][1]benzothiepin-5-yl-4-methylpiperazin-4-ium Traditional Name: 1-benzo[b][1]benzothiepin-5-yl-4-methyl-piperazin-4-ium Formula: C19H21N2S+ MolecularWeight: 309.44844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C19H20N2S/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3/p+1