N,N-diethyl-3,5-dimethyl-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyrazole-4-sulfonamide

Systemtic Name: N,N-diethyl-3,5-dimethyl-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyrazole-4-sulfonamide Openeye Name: N,N-diethyl-3,5-dimethyl-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]pyrazole-4-sulfonamide CAS Name: N,N-diethyl-3,5-dimethyl-1-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-4-pyrazolesulfonamide IUPAC Name: N,N-diethyl-3,5-dimethyl-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyrazole-4-sulfonamide Traditional Name: N,N-diethyl-3,5-dimethyl-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]pyrazole-4-sulfonamide Formula: C18H29N4O2S2+ MolecularWeight: 397.57846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(N(N=C1C)C[NH+]2CCCC2C3=CC=CS3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(N(N=C1C)C[NH+]2CCC[C@@H]2C3=CC=CS3)C

InChI

InChI=1S/C18H28N4O2S2/c1-5-21(6-2)26(23,24)18-14(3)19-22(15(18)4)13-20-11-7-9-16(20)17-10-8-12-25-17/h8,10,12,16H,5-7,9,11,13H2,1-4H3/p+1/t16-/m1/s1