6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-N-ethyl-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N-ethyl-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-N-phenyl-6-(4-piperonylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide Formula: C25H30N4O4S+2 MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H28N4O4S/c1-2-29(21-6-4-3-5-7-21)34(30,31)22-9-11-25(26-17-22)28-14-12-27(13-15-28)18-20-8-10-23-24(16-20)33-19-32-23/h3-11,16-17H,2,12-15,18-19H2,1H3/p+2