3-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[4-[5-(4-methoxyphenyl)-2-oxazolyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C23H19N2O4+ MolecularWeight: 387.40796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H18N2O4/c1-28-20-7-5-17(6-8-20)21-14-24-22(29-21)18-9-11-25(12-10-18)15-16-3-2-4-19(13-16)23(26)27/h2-14H,15H2,1H3/p+1