6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-N,N-diethylpyridine-3-sulfonamide Traditional Name: N,N-diethyl-6-(4-piperonylpiperazin-4-ium-1-yl)pyridine-3-sulfonamide Formula: C21H29N4O4S+ MolecularWeight: 433.54436

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H28N4O4S/c1-3-25(4-2)30(26,27)18-6-8-21(22-14-18)24-11-9-23(10-12-24)15-17-5-7-19-20(13-17)29-16-28-19/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3/p+1