ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H31N3O2/c1-4-20-23-17(3)19(24-20)16-25-13-11-22(12-14-25,21(26)27-5-2)15-18-9-7-6-8-10-18/h6-10H,4-5,11-16H2,1-3H3,(H,23,24)/p+1