N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-N-methyl-methanesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-N-methyl-methanesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-N-methyl-methanesulfonamide CAS Name: N-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-N-methylmethanesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-N-methylmethanesulfonamide Traditional Name: N-methyl-N-[2-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide Formula: C21H26N3O5S+ MolecularWeight: 432.51324

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O5S/c1-22(30(2,26)27)18-6-4-3-5-17(18)21(25)24-11-9-23(10-12-24)14-16-7-8-19-20(13-16)29-15-28-19/h3-8,13H,9-12,14-15H2,1-2H3/p+1