2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-propyl-pyrrol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-propyl-pyrrol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-propyl-pyrrol-1-ium-1-yl]acetate CAS Name: 2-[2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-1-propyl-1-pyrrol-1-iumyl]acetate IUPAC Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-propylpyrrol-1-ium-1-yl]acetate Traditional Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-propyl-pyrrol-1-ium-1-yl]acetate Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)CC(=O)[O-]

Isomeric SMILES

CCC[N+]1(C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)CC(=O)[O-]

InChI

InChI=1S/C26H26N2O4S/c1-4-15-28(17-23(29)30)16-5-6-22(28)26-27-24(18-7-11-20(31-2)12-8-18)25(33-26)19-9-13-21(32-3)14-10-19/h5-14,16H,4,15,17H2,1-3H3