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

Systemtic Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Openeye Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine CAS Name: 4-[[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine Traditional Name: 4-[6-(4-piperonylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]sulfonylmorpholine Formula: C21H28N4O5S+2 MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C21H26N4O5S/c26-31(27,25-9-11-28-12-10-25)18-2-4-21(22-14-18)24-7-5-23(6-8-24)15-17-1-3-19-20(13-17)30-16-29-19/h1-4,13-14H,5-12,15-16H2/p+2