[1-[3-(4-tert-butylphenoxy)-4-methyl-phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[3-(4-tert-butylphenoxy)-4-methyl-phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[3-(4-tert-butylphenoxy)-4-methyl-phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[3-(4-tert-butylphenoxy)-4-methylphenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[3-(4-tert-butylphenoxy)-4-methylphenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[3-(4-tert-butylphenoxy)-4-methyl-phenyl]-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C25H33N2O3S+ MolecularWeight: 441.60612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N2O3S/c1-6-31(28,29)27(15-7-8-20(17-26)18-27)22-12-9-19(2)24(16-22)30-23-13-10-21(11-14-23)25(3,4)5/h7-14,16,18H,6,15,17,26H2,1-5H3/q+1