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

Systemtic Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-octyl-pyrrol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-octyl-pyrrol-1-ium-1-yl]acetate CAS Name: 2-[2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-1-octyl-1-pyrrol-1-iumyl]acetate IUPAC Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-octylpyrrol-1-ium-1-yl]acetate Traditional Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-octyl-pyrrol-1-ium-1-yl]acetate Formula: C31H36N2O4S MolecularWeight: 532.69354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[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

CCCCCCCC[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/C31H36N2O4S/c1-4-5-6-7-8-9-20-33(22-28(34)35)21-10-11-27(33)31-32-29(23-12-16-25(36-2)17-13-23)30(38-31)24-14-18-26(37-3)19-15-24/h10-19,21H,4-9,20,22H2,1-3H3