4-[[2-butyl-4-(hydroxymethyl)-1H-imidazol-3-ium-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-4-(hydroxymethyl)-1H-imidazol-3-ium-3-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-4-(hydroxymethyl)-1H-imidazol-3-ium-3-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-4-(hydroxymethyl)-1H-imidazol-3-ium-3-yl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-4-(hydroxymethyl)-1H-imidazol-3-ium-3-yl]methyl]benzoic acid Traditional Name: 4-[(2-butyl-4-methylol-1H-imidazol-3-ium-3-yl)methyl]benzoic acid Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C(=CN1)CO)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC1=[N+](C(=CN1)CO)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-2-3-4-15-17-9-14(11-19)18(15)10-12-5-7-13(8-6-12)16(20)21/h5-9,19H,2-4,10-11H2,1H3,(H,20,21)/p+1