N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methyl-pyridin-1-ium-2-amine

Systemtic Name: N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methyl-pyridin-1-ium-2-amine Openeye Name: N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methyl-pyridin-1-ium-2-amine CAS Name: N-[2-[4-[1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl]phenoxy]ethyl]-N-methyl-2-pyridin-1-iumamine IUPAC Name: N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-1-ium-2-amine Traditional Name: 2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl-methyl-pyridin-1-ium-2-yl-amine Formula: C24H25N4O4S+ MolecularWeight: 465.5447

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)C2=NN(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CC=[NH+]4

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)C2=NN(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H24N4O4S/c1-27(24-5-3-4-15-25-24)17-18-32-21-8-6-19(7-9-21)23-14-16-28(26-23)33(29,30)22-12-10-20(31-2)11-13-22/h3-16H,17-18H2,1-2H3/p+1