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

Systemtic Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-butyl-pyrrol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-butyl-pyrrol-1-ium-1-yl]acetate CAS Name: 2-[2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-1-butyl-1-pyrrol-1-iumyl]acetate IUPAC Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-butylpyrrol-1-ium-1-yl]acetate Traditional Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-butyl-pyrrol-1-ium-1-yl]acetate Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[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

CCCC[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/C27H28N2O4S/c1-4-5-16-29(18-24(30)31)17-6-7-23(29)27-28-25(19-8-12-21(32-2)13-9-19)26(34-27)20-10-14-22(33-3)15-11-20/h6-15,17H,4-5,16,18H2,1-3H3