2-bromanyl-5-ethyl-3-propyl-3-[(2,4,6-trimethylphenyl)amino]imidazol-3-ium-4-carboxylic acid

Systemtic Name: 2-bromanyl-5-ethyl-3-propyl-3-[(2,4,6-trimethylphenyl)amino]imidazol-3-ium-4-carboxylic acid Openeye Name: 2-bromo-5-ethyl-3-propyl-3-(2,4,6-trimethylanilino)imidazol-3-ium-4-carboxylic acid CAS Name: 2-bromo-5-ethyl-3-propyl-3-(2,4,6-trimethylanilino)-4-imidazol-3-iumcarboxylic acid IUPAC Name: 2-bromo-5-ethyl-3-propyl-3-(2,4,6-trimethylanilino)imidazol-3-ium-4-carboxylic acid Traditional Name: 2-bromo-5-ethyl-3-mesidino-3-propyl-imidazol-3-ium-4-carboxylic acid Formula: C18H25BrN3O2+ MolecularWeight: 395.314

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(=C(N=C1Br)CC)C(=O)O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCC[N+]1(C(=C(N=C1Br)CC)C(=O)O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H24BrN3O2/c1-6-8-22(16(17(23)24)14(7-2)20-18(22)19)21-15-12(4)9-11(3)10-13(15)5/h9-10,21H,6-8H2,1-5H3/p+1