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

Systemtic Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]-piperonylamide Formula: C20H25N4O5S+ MolecularWeight: 433.5013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c25-20(16-5-6-17-18(14-16)29-15-28-17)22-8-3-13-30(26,27)24-11-9-23(10-12-24)19-4-1-2-7-21-19/h1-2,4-7,14H,3,8-13,15H2,(H,22,25)/p+1