N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]-piperonylamide Formula: C19H23N4O5S+ MolecularWeight: 419.47472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N4O5S/c24-19(15-4-5-16-17(13-15)28-14-27-16)21-7-12-29(25,26)23-10-8-22(9-11-23)18-3-1-2-6-20-18/h1-6,13H,7-12,14H2,(H,21,24)/p+1