N-tert-butyl-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-tert-butyl-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-tert-butyl-piperidin-1-ium-4-carboxamide CAS Name: N-tert-butyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-tert-butyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-N-tert-butyl-piperidin-1-ium-4-carboxamide Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O3/c1-25(2,3)26-24(28)21-12-14-27(15-13-21)17-20-10-11-22(23(16-20)29-4)30-18-19-8-6-5-7-9-19/h5-11,16,21H,12-15,17-18H2,1-4H3,(H,26,28)/p+1