methyl 4-[(3-cyclopentyl-4-oxidanylidene-1,5-dihydroimidazol-3-ium-2-yl)amino]benzoate

Systemtic Name: methyl 4-[(3-cyclopentyl-4-oxidanylidene-1,5-dihydroimidazol-3-ium-2-yl)amino]benzoate Openeye Name: methyl 4-[(3-cyclopentyl-4-oxo-1,5-dihydroimidazol-3-ium-2-yl)amino]benzoate CAS Name: 4-[(3-cyclopentyl-4-oxo-1,5-dihydroimidazol-3-ium-2-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyclopentyl-4-oxo-1,5-dihydroimidazol-3-ium-2-yl)amino]benzoate Traditional Name: 4-[(1-cyclopentyl-5-keto-2-imidazolin-1-ium-2-yl)amino]benzoic acid methyl ester Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=[N+](C(=O)CN2)C3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=[N+](C(=O)CN2)C3CCCC3

InChI

InChI=1S/C16H19N3O3/c1-22-15(21)11-6-8-12(9-7-11)18-16-17-10-14(20)19(16)13-4-2-3-5-13/h6-9,13H,2-5,10H2,1H3,(H,17,18,21)/p+1