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

Systemtic Name: ethyl 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]isonipecotic acid ethyl ester Formula: C21H30N3O2+ MolecularWeight: 356.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-3-24-15-12-22-19(24)17-23-13-10-21(11-14-23,20(25)26-4-2)16-18-8-6-5-7-9-18/h5-9,12,15H,3-4,10-11,13-14,16-17H2,1-2H3/p+1