methyl 4-[5-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methyl-amino]methyl]-1,2,4-oxadiazol-3-yl]benzoate

Systemtic Name: methyl 4-[5-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methyl-amino]methyl]-1,2,4-oxadiazol-3-yl]benzoate Openeye Name: methyl 4-[5-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methyl-amino]methyl]-1,2,4-oxadiazol-3-yl]benzoate CAS Name: 4-[5-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]benzoate Traditional Name: 4-[5-[[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl-methyl-amino]methyl]-1,2,4-oxadiazol-3-yl]benzoic acid methyl ester Formula: C18H22N5O3+ MolecularWeight: 356.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN(C)CC2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC[N+]1=C(NC=C1)CN(C)CC2=NC(=NO2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H21N5O3/c1-4-23-10-9-19-15(23)11-22(2)12-16-20-17(21-26-16)13-5-7-14(8-6-13)18(24)25-3/h5-10H,4,11-12H2,1-3H3/p+1