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

Systemtic Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-cyclohexylphenoxy)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C27H35N2O3S+ MolecularWeight: 467.6434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N2O3S/c1-2-19-33(30,31)29(18-6-7-22(20-28)21-29)25-12-16-27(17-13-25)32-26-14-10-24(11-15-26)23-8-4-3-5-9-23/h6-7,10-17,21,23H,2-5,8-9,18-20,28H2,1H3/q+1