propyl 4-[5-[(E)-(2-azanyl-3-methyl-5-oxidanylidene-1H-imidazol-3-ium-4-ylidene)methyl]furan-2-yl]benzoate

Systemtic Name: propyl 4-[5-[(E)-(2-azanyl-3-methyl-5-oxidanylidene-1H-imidazol-3-ium-4-ylidene)methyl]furan-2-yl]benzoate Openeye Name: propyl 4-[5-[(E)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]-2-furanyl]benzoic acid propyl ester IUPAC Name: propyl 4-[5-[(E)-(2-amino-3-methyl-5-oxo-1H-imidazol-3-ium-4-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-(2-amino-5-keto-3-methyl-2-imidazolin-3-ium-4-ylidene)methyl]-2-furyl]benzoic acid propyl ester Formula: C19H20N3O4+ MolecularWeight: 354.3798

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=[N+]3C)N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/3\C(=O)NC(=[N+]3C)N

InChI

InChI=1S/C19H19N3O4/c1-3-10-25-18(24)13-6-4-12(5-7-13)16-9-8-14(26-16)11-15-17(23)21-19(20)22(15)2/h4-9,11H,3,10H2,1-2H3,(H2,20,21,23)/p+1/b15-11+