[1-[3-(3-tert-butylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[3-(3-tert-butylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[3-(3-tert-butylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[3-(3-tert-butylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[3-(3-tert-butylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[3-(3-tert-butylphenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C24H31N2O3S+ MolecularWeight: 427.57954

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=CC(=C3)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=CC(=C3)C(C)(C)C

InChI

InChI=1S/C24H31N2O3S/c1-5-30(27,28)26(14-8-9-19(17-25)18-26)21-11-7-13-23(16-21)29-22-12-6-10-20(15-22)24(2,3)4/h6-13,15-16,18H,5,14,17,25H2,1-4H3/q+1