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

Systemtic Name: ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]C(=C(N1)C)CN2CCC(CC2)(CCCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=[NH+]C(=C(N1)C)CN2CCC(CC2)(CCCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H35N3O2/c1-4-22-25-19(3)21(26-22)18-27-16-14-24(15-17-27,23(28)29-5-2)13-9-12-20-10-7-6-8-11-20/h6-8,10-11H,4-5,9,12-18H2,1-3H3,(H,25,26)/p+1