1-butyl-2,6-bis(4-methoxyphenyl)pyridin-1-ium-4-carboxylate

Systemtic Name: 1-butyl-2,6-bis(4-methoxyphenyl)pyridin-1-ium-4-carboxylate Openeye Name: 1-butyl-2,6-bis(4-methoxyphenyl)pyridin-1-ium-4-carboxylate CAS Name: 1-butyl-2,6-bis(4-methoxyphenyl)-4-pyridin-1-iumcarboxylate IUPAC Name: 1-butyl-2,6-bis(4-methoxyphenyl)pyridin-1-ium-4-carboxylate Traditional Name: 1-butyl-2,6-bis(4-methoxyphenyl)pyridin-1-ium-4-carboxylate Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C=C1C2=CC=C(C=C2)OC)C(=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCCC[N+]1=C(C=C(C=C1C2=CC=C(C=C2)OC)C(=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H25NO4/c1-4-5-14-25-22(17-6-10-20(28-2)11-7-17)15-19(24(26)27)16-23(25)18-8-12-21(29-3)13-9-18/h6-13,15-16H,4-5,14H2,1-3H3