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

Systemtic Name: N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-1-ium-2-amine Openeye Name: N-methyl-N-[2-[4-[1-(1-naphthylsulfonyl)pyrazol-3-yl]phenoxy]ethyl]pyridin-1-ium-2-amine CAS Name: N-methyl-N-[2-[4-[1-(1-naphthalenylsulfonyl)-3-pyrazolyl]phenoxy]ethyl]-2-pyridin-1-iumamine IUPAC Name: N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-1-ium-2-amine Traditional Name: methyl-[2-[4-[1-(1-naphthylsulfonyl)pyrazol-3-yl]phenoxy]ethyl]-pyridin-1-ium-2-yl-amine Formula: C27H25N4O3S+ MolecularWeight: 485.5774

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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=CC4=CC=CC=C43)C5=CC=CC=[NH+]5

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)C2=NN(C=C2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H24N4O3S/c1-30(27-11-4-5-17-28-27)19-20-34-23-14-12-22(13-15-23)25-16-18-31(29-25)35(32,33)26-10-6-8-21-7-2-3-9-24(21)26/h2-18H,19-20H2,1H3/p+1