3-(2,6-diethylphenyl)imidazole-4-carboxylate; 3-methoxypropylazanium

Systemtic Name: 3-(2,6-diethylphenyl)imidazole-4-carboxylate; 3-methoxypropylazanium Openeye Name: 3-(2,6-diethylphenyl)imidazole-4-carboxylate; 3-methoxypropylammonium CAS Name: 3-(2,6-diethylphenyl)-4-imidazolecarboxylate; 3-methoxypropylammonium IUPAC Name: 3-(2,6-diethylphenyl)imidazole-4-carboxylate; 3-methoxypropylazanium Traditional Name: 3-(2,6-diethylphenyl)imidazole-4-carboxylate; 3-methoxypropylammonium Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C=NC=C2C(=O)[O-].COCCC[NH3+]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C=NC=C2C(=O)[O-].COCCC[NH3+]

InChI

InChI=1S/C14H16N2O2.C4H11NO/c1-3-10-6-5-7-11(4-2)13(10)16-9-15-8-12(16)14(17)18;1-6-4-2-3-5/h5-9H,3-4H2,1-2H3,(H,17,18);2-5H2,1H3