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

Systemtic Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pentyl-pyrrol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-pentyl-pyrrol-1-ium-1-yl]acetate CAS Name: 2-[2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-1-pentyl-1-pyrrol-1-iumyl]acetate IUPAC Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-pentylpyrrol-1-ium-1-yl]acetate Traditional Name: 2-[1-amyl-2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]pyrrol-1-ium-1-yl]acetate Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[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

CCCCC[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/C28H30N2O4S/c1-4-5-6-17-30(19-25(31)32)18-7-8-24(30)28-29-26(20-9-13-22(33-2)14-10-20)27(35-28)21-11-15-23(34-3)16-12-21/h7-16,18H,4-6,17,19H2,1-3H3