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

Systemtic Name: ethyl 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H33N3O2/c1-3-5-11-21-24-17-20(25-21)18-26-14-12-23(13-15-26,22(27)28-4-2)16-19-9-7-6-8-10-19/h6-10,17H,3-5,11-16,18H2,1-2H3,(H,24,25)/p+1