4-[(2S)-1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-1-ium

Systemtic Name: 4-[(2S)-1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-1-ium Openeye Name: 4-[(2S)-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-1-ium CAS Name: 4-[(2S)-1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-2-pyrrolidinyl]pyridin-1-ium IUPAC Name: 4-[(2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-1-ium Traditional Name: 4-[(2S)-1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-1-ium Formula: C14H18ClN4O2S+ MolecularWeight: 341.83632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)N2CCCC2C3=CC=[NH+]C=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)N2CCC[C@H]2C3=CC=[NH+]C=C3)Cl)C

InChI

InChI=1S/C14H17ClN4O2S/c1-10-13(14(15)18(2)17-10)22(20,21)19-9-3-4-12(19)11-5-7-16-8-6-11/h5-8,12H,3-4,9H2,1-2H3/p+1/t12-/m0/s1