1,3-benzodioxol-5-yl-(4-methylpiperazin-4-ium-1-yl)methanethione

Systemtic Name: 1,3-benzodioxol-5-yl-(4-methylpiperazin-4-ium-1-yl)methanethione Openeye Name: 1,3-benzodioxol-5-yl-(4-methylpiperazin-4-ium-1-yl)methanethione CAS Name: 1,3-benzodioxol-5-yl-(4-methyl-1-piperazin-4-iumyl)methanethione IUPAC Name: 1,3-benzodioxol-5-yl-(4-methylpiperazin-4-ium-1-yl)methanethione Traditional Name: 1,3-benzodioxol-5-yl-(4-methylpiperazin-4-ium-1-yl)methanethione Formula: C13H17N2O2S+ MolecularWeight: 265.35128

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H16N2O2S/c1-14-4-6-15(7-5-14)13(18)10-2-3-11-12(8-10)17-9-16-11/h2-3,8H,4-7,9H2,1H3/p+1