2-[1-(2,2-diphenylbutanoylamino)imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-(2,2-diphenylbutanoylamino)imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2,2-diphenylbutanoylamino)imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-[(1-oxo-2,2-diphenylbutyl)amino]-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[1-(2,2-diphenylbutanoylamino)imidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(2,2-diphenylbutanoylamino)imidazol-1-ium-1-yl]acetic acid Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N[N+]3(C=CN=C3)CC(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N[N+]3(C=CN=C3)CC(=O)O

InChI

InChI=1S/C21H21N3O3/c1-2-21(17-9-5-3-6-10-17,18-11-7-4-8-12-18)20(27)23-24(15-19(25)26)14-13-22-16-24/h3-14,16H,2,15H2,1H3,(H-,23,25,26,27)/p+1