N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-3-25(19-7-5-4-6-8-19)29(26,27)21-13-14-22(24-17-21)23-16-15-18-9-11-20(28-2)12-10-18/h4-14,17H,3,15-16H2,1-2H3,(H,23,24)/p+1