2-[2-[(diphenylmethyl)carbamoyl]-1-hexyl-imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(diphenylmethyl)carbamoyl]-1-hexyl-imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-(benzhydrylcarbamoyl)-1-hexyl-imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[2-[[(diphenylmethyl)amino]-oxomethyl]-1-hexyl-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[2-(benzhydrylcarbamoyl)-1-hexylimidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[2-(benzhydrylcarbamoyl)-1-hexyl-imidazol-1-ium-1-yl]acetic acid Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C=CN=C1C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CCCCCC[N+]1(C=CN=C1C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C25H29N3O3/c1-2-3-4-11-17-28(19-22(29)30)18-16-26-24(28)25(31)27-23(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-16,18,23H,2-4,11,17,19H2,1H3,(H-,27,29,30,31)/p+1