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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonylethylazanium Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonylethylammonium CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethylammonium IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonylethylazanium Traditional Name: 2-(4-piperonylpiperazin-4-ium-1-yl)sulfonylethylammonium Formula: C14H23N3O4S+2 MolecularWeight: 329.41512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC[NH3+]

InChI

InChI=1S/C14H21N3O4S/c15-3-8-22(18,19)17-6-4-16(5-7-17)10-12-1-2-13-14(9-12)21-11-20-13/h1-2,9H,3-8,10-11,15H2/p+2