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

Systemtic Name: ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]C(=C(N1)C)CN2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=[NH+]C(=C(N1)C)CN2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H33N3O3/c1-4-21-24-18(3)20(25-21)17-26-14-11-23(12-15-26,22(27)28-5-2)13-16-29-19-9-7-6-8-10-19/h6-10H,4-5,11-17H2,1-3H3,(H,24,25)/p+1