6-(3-cyclohexyloxypropylamino)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-(3-cyclohexyloxypropylamino)-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[3-(cyclohexoxy)propylamino]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-(3-cyclohexyloxypropylamino)-N-ethyl-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(3-cyclohexyloxypropylamino)-N-ethyl-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[3-(cyclohexoxy)propylamino]-N-ethyl-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCCOC3CCCCC3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCCOC3CCCCC3

InChI

InChI=1S/C22H31N3O3S/c1-2-25(19-10-5-3-6-11-19)29(26,27)21-14-15-22(24-18-21)23-16-9-17-28-20-12-7-4-8-13-20/h3,5-6,10-11,14-15,18,20H,2,4,7-9,12-13,16-17H2,1H3,(H,23,24)/p+1