6-(4-butylpiperazin-1-yl)-3-chloranyl-benzo[b][1,4]benzothiazepine hydrochloride

Systemtic Name: 6-(4-butylpiperazin-1-yl)-3-chloranyl-benzo[b][1,4]benzothiazepine hydrochloride Openeye Name: 6-(4-butylpiperazin-1-yl)-3-chloro-benzo[b][1,4]benzothiazepine hydrochloride CAS Name: 6-(4-butyl-1-piperazinyl)-3-chlorobenzo[b][1,4]benzothiazepine hydrochloride IUPAC Name: 6-(4-butylpiperazin-1-yl)-3-chlorobenzo[b][1,4]benzothiazepine hydrochloride Traditional Name: 6-(4-butylpiperazino)-3-chloro-benzo[b][1,4]benzothiazepine hydrochloride Formula: C21H25Cl2N3S MolecularWeight: 422.4143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)SC4=CC=CC=C42.Cl

InChI

InChI=1S/C21H24ClN3S.ClH/c1-2-3-10-24-11-13-25(14-12-24)21-17-6-4-5-7-19(17)26-20-9-8-16(22)15-18(20)23-21;/h4-9,15H,2-3,10-14H2,1H3;1H