ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1-ethylimidazol-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-ethyl-2-imidazolyl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC(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