[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3,6-bis(chloranyl)-1-benzothiophen-2-yl]methanone hydrochloride

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3,6-bis(chloranyl)-1-benzothiophen-2-yl]methanone hydrochloride Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,6-dichlorobenzothiophen-2-yl)methanone hydrochloride CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3,6-dichloro-1-benzothiophen-2-yl)methanone hydrochloride IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,6-dichloro-1-benzothiophen-2-yl)methanone hydrochloride Traditional Name: (3,6-dichlorobenzothiophen-2-yl)-(4-piperonylpiperazino)methanone hydrochloride Formula: C21H19Cl3N2O3S MolecularWeight: 485.81116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl.Cl

InChI

InChI=1S/C21H18Cl2N2O3S.ClH/c22-14-2-3-15-18(10-14)29-20(19(15)23)21(26)25-7-5-24(6-8-25)11-13-1-4-16-17(9-13)28-12-27-16;/h1-4,9-10H,5-8,11-12H2;1H