1-[3,5-dimethyl-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyrazol-4-yl]sulfonylpiperidine

Systemtic Name: 1-[3,5-dimethyl-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyrazol-4-yl]sulfonylpiperidine Openeye Name: 1-[3,5-dimethyl-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]pyrazol-4-yl]sulfonylpiperidine CAS Name: 1-[[3,5-dimethyl-1-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-4-pyrazolyl]sulfonyl]piperidine IUPAC Name: 1-[3,5-dimethyl-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyrazol-4-yl]sulfonylpiperidine Traditional Name: 1-[3,5-dimethyl-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]pyrazol-4-yl]sulfonylpiperidine Formula: C19H29N4O2S2+ MolecularWeight: 409.58916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCCC2C3=CC=CS3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCC[C@@H]2C3=CC=CS3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C19H28N4O2S2/c1-15-19(27(24,25)22-11-4-3-5-12-22)16(2)23(20-15)14-21-10-6-8-17(21)18-9-7-13-26-18/h7,9,13,17H,3-6,8,10-12,14H2,1-2H3/p+1/t17-/m1/s1