4-[2-methyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]butanoic acid

Systemtic Name: 4-[2-methyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]butanoic acid Openeye Name: 4-(3-benzyl-2-methyl-benzimidazol-3-ium-1-yl)butanoic acid CAS Name: 4-[2-methyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]butanoic acid IUPAC Name: 4-(3-benzyl-2-methylbenzimidazol-3-ium-1-yl)butanoic acid Traditional Name: 4-(3-benzyl-2-methyl-benzimidazol-3-ium-1-yl)butyric acid Formula: C19H21N2O2+ MolecularWeight: 309.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2N1CCCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2N1CCCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2/c1-15-20(13-7-12-19(22)23)17-10-5-6-11-18(17)21(15)14-16-8-3-2-4-9-16/h2-6,8-11H,7,12-14H2,1H3/p+1