[1-[4-(4-cyclohexylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C26H33N2O3S+ MolecularWeight: 453.61682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)C4CCCCC4

InChI

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