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

Systemtic Name: 1-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(5-pyrrolidinosulfonyl-2-pyridyl)-4-(3-thenyl)piperazin-4-ium Formula: C18H25N4O2S2+ MolecularWeight: 393.5467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S2/c23-26(24,22-6-1-2-7-22)17-3-4-18(19-13-17)21-10-8-20(9-11-21)14-16-5-12-25-15-16/h3-5,12-13,15H,1-2,6-11,14H2/p+1