ethyl 4-(2-methoxyethyl)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(2-methoxyethyl)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(2-methoxyethyl)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidine-4-carboxylate CAS Name: 4-(2-methoxyethyl)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxyethyl)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-(2-methoxyethyl)-1-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]isonipecotic acid ethyl ester Formula: C16H28N3O3+ MolecularWeight: 310.41182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=C(NC=[NH+]2)C)CCOC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=C(NC=[NH+]2)C)CCOC

InChI

InChI=1S/C16H27N3O3/c1-4-22-15(20)16(7-10-21-3)5-8-19(9-6-16)11-14-13(2)17-12-18-14/h12H,4-11H2,1-3H3,(H,17,18)/p+1