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

Systemtic Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-butyl-pyrrol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-butyl-pyrrol-1-ium-1-yl]acetic acid CAS Name: 2-[2-[4,5-bis(4-methoxyphenyl)-2-thiazolyl]-1-butyl-1-pyrrol-1-iumyl]acetic acid IUPAC Name: 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-butylpyrrol-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[4,5-bis(4-methoxyphenyl)thiazol-2-yl]-1-butyl-pyrrol-1-ium-1-yl]acetic acid Formula: C27H29N2O4S+ MolecularWeight: 477.59516

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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/p+1