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

Systemtic Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-propyl-pyrrol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-propyl-pyrrol-1-ium-1-yl]acetic acid CAS Name: 2-[2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-1-propyl-1-pyrrol-1-iumyl]acetic acid IUPAC Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-propylpyrrol-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-propyl-pyrrol-1-ium-1-yl]acetic acid Formula: C26H27N2O4S+ MolecularWeight: 463.56858

Click to see the large picture

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/p+1