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

Systemtic Name: 4-[4-[4-(4-methoxyphenyl)phenyl]pyridin-1-ium-1-yl]butane-1-sulfonate Openeye Name: 4-[4-[4-(4-methoxyphenyl)phenyl]pyridin-1-ium-1-yl]butane-1-sulfonate CAS Name: 4-[4-[4-(4-methoxyphenyl)phenyl]-1-pyridin-1-iumyl]-1-butanesulfonate IUPAC Name: 4-[4-[4-(4-methoxyphenyl)phenyl]pyridin-1-ium-1-yl]butane-1-sulfonate Traditional Name: 4-[4-[4-(4-methoxyphenyl)phenyl]pyridin-1-ium-1-yl]butane-1-sulfonate Formula: C22H23NO4S MolecularWeight: 397.48732

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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)CCCCS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4S/c1-27-22-10-8-20(9-11-22)18-4-6-19(7-5-18)21-12-15-23(16-13-21)14-2-3-17-28(24,25)26/h4-13,15-16H,2-3,14,17H2,1H3