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

Systemtic Name: ethyl 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC(CC2)(CCOC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H31N3O3/c1-3-25-16-13-23-20(25)18-24-14-10-22(11-15-24,21(26)27-4-2)12-17-28-19-8-6-5-7-9-19/h5-9,13,16H,3-4,10-12,14-15,17-18H2,1-2H3/p+1