N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-piperonyl-acetamide Formula: C20H24N3O5S+ MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4

InChI

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