8-chloranyl-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride

Systemtic Name: 8-chloranyl-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride Openeye Name: 8-chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride CAS Name: 8-chloro-6-(4-methyl-1-piperazin-1-iumyl)benzo[b][1,4]benzothiazepine chloride IUPAC Name: 8-chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride Traditional Name: 8-chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride Formula: C18H19Cl2N3S MolecularWeight: 380.33456

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-]

Isomeric SMILES

CN1CC[NH+](CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-]

InChI

InChI=1S/C18H18ClN3S.ClH/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;/h2-7,12H,8-11H2,1H3;1H