3-[4-[4-(4-methoxyphenyl)phenyl]pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[4-(4-methoxyphenyl)phenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[4-(4-methoxyphenyl)phenyl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[4-(4-methoxyphenyl)phenyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[4-(4-methoxyphenyl)phenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[4-(4-methoxyphenyl)phenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=[N+](C=C3)CCCS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=[N+](C=C3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C21H21NO4S/c1-26-21-9-7-19(8-10-21)17-3-5-18(6-4-17)20-11-14-22(15-12-20)13-2-16-27(23,24)25/h3-12,14-15H,2,13,16H2,1H3