N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]methanesulfonamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]methanesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]methanesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]methanesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]methanesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]methanesulfonamide Formula: C15H25N3O4S+2 MolecularWeight: 343.4417

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNS(=O)(=O)C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNS(=O)(=O)C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H23N3O4S/c1-17-5-7-18(8-6-17)13(10-16-23(2,19)20)12-3-4-14-15(9-12)22-11-21-14/h3-4,9,13,16H,5-8,10-11H2,1-2H3/p+2/t13-/m1/s1