3-[(2R)-1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2R)-1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2R)-1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2R)-1-[2-(4-tert-butylphenyl)sulfonylethyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2R)-1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2R)-1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-1-ium-2-yl]pyridine Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC[NH+]2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC[NH+]2CCCC[C@@H]2C3=CN=CC=C3

InChI

InChI=1S/C22H30N2O2S/c1-22(2,3)19-9-11-20(12-10-19)27(25,26)16-15-24-14-5-4-8-21(24)18-7-6-13-23-17-18/h6-7,9-13,17,21H,4-5,8,14-16H2,1-3H3/p+1/t21-/m1/s1