[1-[4-(4-cyclohexylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine

Systemtic Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-6-yl]methylamine Formula: C26H33N2O3S+ MolecularWeight: 453.61682

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C26H33N2O3S/c1-2-32(29,30)28(19-7-6-10-24(28)20-27)23-13-17-26(18-14-23)31-25-15-11-22(12-16-25)21-8-4-3-5-9-21/h6-7,10-18,21H,2-5,8-9,19-20,27H2,1H3/q+1