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

Systemtic Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-hexyl-pyrrol-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-hexyl-pyrrol-1-ium-1-yl]acetate CAS Name: 2-[2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-1-hexyl-1-pyrrol-1-iumyl]acetate IUPAC Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-hexylpyrrol-1-ium-1-yl]acetate Traditional Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-hexyl-pyrrol-1-ium-1-yl]acetate Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[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

CCCCCC[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/C29H32N2O4S/c1-4-5-6-7-18-31(20-26(32)33)19-8-9-25(31)29-30-27(21-10-14-23(34-2)15-11-21)28(36-29)22-12-16-24(35-3)17-13-22/h8-17,19H,4-7,18,20H2,1-3H3