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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-phenethyl-methanesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-phenethyl-methanesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-N-phenethylmethanesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-N-phenethylmethanesulfonamide Traditional Name: N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-N-phenethyl-methanesulfonamide Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N(CCC1=CC=CC=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O5S/c1-32(28,29)26(10-9-19-5-3-2-4-6-19)17-23(27)25-13-11-24(12-14-25)16-20-7-8-21-22(15-20)31-18-30-21/h2-8,15H,9-14,16-18H2,1H3/p+1