1-[4-(4-cyclohexylphenoxy)phenyl]-N-methyl-1-methylsulfonyl-2H-pyridin-1-ium-5-amine

Systemtic Name: 1-[4-(4-cyclohexylphenoxy)phenyl]-N-methyl-1-methylsulfonyl-2H-pyridin-1-ium-5-amine Openeye Name: 1-[4-(4-cyclohexylphenoxy)phenyl]-N-methyl-1-methylsulfonyl-2H-pyridin-1-ium-5-amine CAS Name: 1-[4-(4-cyclohexylphenoxy)phenyl]-N-methyl-1-methylsulfonyl-2H-pyridin-1-ium-5-amine IUPAC Name: 1-[4-(4-cyclohexylphenoxy)phenyl]-N-methyl-1-methylsulfonyl-2H-pyridin-1-ium-5-amine Traditional Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-mesyl-2H-pyridin-1-ium-5-yl]-methyl-amine Formula: C25H31N2O3S+ MolecularWeight: 439.59024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C[N+](CC=C1)(C2=CC=C(C=C2)OC3=CC=C(C=C3)C4CCCCC4)S(=O)(=O)C

Isomeric SMILES

CNC1=C[N+](CC=C1)(C2=CC=C(C=C2)OC3=CC=C(C=C3)C4CCCCC4)S(=O)(=O)C

InChI

InChI=1S/C25H31N2O3S/c1-26-22-9-6-18-27(19-22,31(2,28)29)23-12-16-25(17-13-23)30-24-14-10-21(11-15-24)20-7-4-3-5-8-20/h6,9-17,19-20,26H,3-5,7-8,18H2,1-2H3/q+1