1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-methyl-4-[[6-(4-piperonylpiperazin-4-ium-1-yl)-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C22H31N5O4S+2 MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H29N5O4S/c1-24-6-12-27(13-7-24)32(28,29)19-3-5-22(23-15-19)26-10-8-25(9-11-26)16-18-2-4-20-21(14-18)31-17-30-20/h2-5,14-15H,6-13,16-17H2,1H3/p+2