1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-ethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-ethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-ethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(3-ethoxy-4-hydroxy-benzyl)-N-ethyl-piperidin-1-ium-4-carboxamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)O)OCC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)O)OCC

InChI

InChI=1S/C24H32N2O3/c1-3-26(18-19-8-6-5-7-9-19)24(28)21-12-14-25(15-13-21)17-20-10-11-22(27)23(16-20)29-4-2/h5-11,16,21,27H,3-4,12-15,17-18H2,1-2H3/p+1