1-(3-chloranylbenzo[b][1]benzothiepin-6-yl)piperazin-4-ium

Systemtic Name: 1-(3-chloranylbenzo[b][1]benzothiepin-6-yl)piperazin-4-ium Openeye Name: 1-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazin-4-ium CAS Name: 1-(3-chloro-6-benzo[b][1]benzothiepinyl)piperazin-4-ium IUPAC Name: 1-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazin-4-ium Traditional Name: 1-(3-chlorobenzo[b][1]benzothiepin-6-yl)piperazin-4-ium Formula: C18H18ClN2S+ MolecularWeight: 329.86692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42

InChI

InChI=1S/C18H17ClN2S/c19-14-5-6-17-13(11-14)12-16(21-9-7-20-8-10-21)15-3-1-2-4-18(15)22-17/h1-6,11-12,20H,7-10H2/p+1