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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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