N-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]methanesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]methanesulfonamide Formula: C15H22N3O5S+ MolecularWeight: 356.41728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O5S/c1-16-5-7-17(8-6-16)15(19)10-18(24(2,20)21)12-3-4-13-14(9-12)23-11-22-13/h3-4,9H,5-8,10-11H2,1-2H3/p+1