1-(1,3-benzodioxol-5-ylmethyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Traditional Name: 1-piperonyl-4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazin-1-ium Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H26N4O4S/c26-30(27,25-7-1-2-8-25)18-4-6-21(22-14-18)24-11-9-23(10-12-24)15-17-3-5-19-20(13-17)29-16-28-19/h3-6,13-14H,1-2,7-12,15-16H2/p+1