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

Systemtic Name: 8-chloranyl-6-(4,4-dimethylpiperazin-4-ium-1-yl)benzo[b][1,4]benzothiazepine Openeye Name: 8-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)benzo[b][1,4]benzothiazepine CAS Name: 8-chloro-6-(4,4-dimethyl-1-piperazin-4-iumyl)benzo[b][1,4]benzothiazepine IUPAC Name: 8-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)benzo[b][1,4]benzothiazepine Traditional Name: 8-chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)benzo[b][1,4]benzothiazepine Formula: C19H21ClN3S+ MolecularWeight: 358.90814

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C

InChI

InChI=1S/C19H21ClN3S/c1-23(2)11-9-22(10-12-23)19-15-13-14(20)7-8-17(15)24-18-6-4-3-5-16(18)21-19/h3-8,13H,9-12H2,1-2H3/q+1