5-pyrrolidin-1-ylsulfonyl-1-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]pyridin-2-one

Systemtic Name: 5-pyrrolidin-1-ylsulfonyl-1-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]pyridin-2-one Openeye Name: 5-pyrrolidin-1-ylsulfonyl-1-[[4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]pyridin-2-one CAS Name: 5-(1-pyrrolidinylsulfonyl)-1-[[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]-2-pyridinone IUPAC Name: 5-pyrrolidin-1-ylsulfonyl-1-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]pyridin-2-one Traditional Name: 5-pyrrolidinosulfonyl-1-[[4-(2-thenyl)piperazin-1-ium-1-yl]methyl]-2-pyridone Formula: C19H27N4O3S2+ MolecularWeight: 423.57268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN(C(=O)C=C2)C[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C19H26N4O3S2/c24-19-6-5-18(28(25,26)23-7-1-2-8-23)15-22(19)16-21-11-9-20(10-12-21)14-17-4-3-13-27-17/h3-6,13,15H,1-2,7-12,14,16H2/p+1