2-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)-1-hexyl-imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)-1-hexyl-imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-hexyl-2-(indan-1-ylcarbamoyl)imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[2-[(2,3-dihydro-1H-inden-1-ylamino)-oxomethyl]-1-hexyl-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)-1-hexylimidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-hexyl-2-(indan-1-ylcarbamoyl)imidazol-1-ium-1-yl]acetic acid Formula: C21H28N3O3+ MolecularWeight: 370.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C=CN=C1C(=O)NC2CCC3=CC=CC=C23)CC(=O)O

Isomeric SMILES

CCCCCC[N+]1(C=CN=C1C(=O)NC2CCC3=CC=CC=C23)CC(=O)O

InChI

InChI=1S/C21H27N3O3/c1-2-3-4-7-13-24(15-19(25)26)14-12-22-20(24)21(27)23-18-11-10-16-8-5-6-9-17(16)18/h5-6,8-9,12,14,18H,2-4,7,10-11,13,15H2,1H3,(H-,23,25,26,27)/p+1