N-(1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C20H24N3O5S+ MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O5S/c24-20(21-17-6-7-18-19(12-17)28-15-27-18)13-22-8-10-23(11-9-22)29(25,26)14-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,21,24)/p+1