8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonylquinoline Openeye Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonylquinoline CAS Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]quinoline IUPAC Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonylquinoline Traditional Name: 8-(4-piperonylpiperazin-4-ium-1-yl)sulfonylquinoline Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C21H21N3O4S/c25-29(26,20-5-1-3-17-4-2-8-22-21(17)20)24-11-9-23(10-12-24)14-16-6-7-18-19(13-16)28-15-27-18/h1-8,13H,9-12,14-15H2/p+1