N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-tert-butyl-piperidin-1-ium-4-carboxamide CAS Name: N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-tert-butyl-piperidin-1-ium-4-carboxamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2/c1-24(2,3)25-23(27)21-12-14-26(15-13-21)17-20-10-7-11-22(16-20)28-18-19-8-5-4-6-9-19/h4-11,16,21H,12-15,17-18H2,1-3H3,(H,25,27)/p+1