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

Systemtic Name: ethyl 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-[(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-m-anisyl-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)(CC3=CC(=CC=C3)OC)C(=O)OCC

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC(CC2)(CC3=CC(=CC=C3)OC)C(=O)OCC

InChI

InChI=1S/C22H31N3O3/c1-4-25-14-11-23-20(25)17-24-12-9-22(10-13-24,21(26)28-5-2)16-18-7-6-8-19(15-18)27-3/h6-8,11,14-15H,4-5,9-10,12-13,16-17H2,1-3H3/p+1