2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)ethanone Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O3S/c24-21(16-27-18-6-7-19-20(14-18)26-13-12-25-19)23-10-8-22(9-11-23)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2/p+1