2-[[2-butyl-1-[(4-carboxyphenyl)methyl]-4-chloranyl-imidazol-1-ium-1-yl]methoxymethyl]benzoic acid

Systemtic Name: 2-[[2-butyl-1-[(4-carboxyphenyl)methyl]-4-chloranyl-imidazol-1-ium-1-yl]methoxymethyl]benzoic acid Openeye Name: 2-[[2-butyl-1-[(4-carboxyphenyl)methyl]-4-chloro-imidazol-1-ium-1-yl]methoxymethyl]benzoic acid CAS Name: 2-[[2-butyl-1-[(4-carboxyphenyl)methyl]-4-chloro-1-imidazol-1-iumyl]methoxymethyl]benzoic acid IUPAC Name: 2-[[2-butyl-1-[(4-carboxyphenyl)methyl]-4-chloroimidazol-1-ium-1-yl]methoxymethyl]benzoic acid Traditional Name: 2-[[2-butyl-1-(4-carboxybenzyl)-4-chloro-imidazol-1-ium-1-yl]methoxymethyl]benzoic acid Formula: C24H26ClN2O5+ MolecularWeight: 457.92664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C[N+]1(CC2=CC=C(C=C2)C(=O)O)COCC3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C[N+]1(CC2=CC=C(C=C2)C(=O)O)COCC3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C24H25ClN2O5/c1-2-3-8-22-26-21(25)14-27(22,13-17-9-11-18(12-10-17)23(28)29)16-32-15-19-6-4-5-7-20(19)24(30)31/h4-7,9-12,14H,2-3,8,13,15-16H2,1H3,(H-,28,29,30,31)/p+1