1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(3-ethoxy-4-hydroxy-benzyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(CCO)CC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(CCO)CC3=CC=CC=C3)O

InChI

InChI=1S/C24H32N2O4/c1-2-30-23-16-20(8-9-22(23)28)17-25-12-10-21(11-13-25)24(29)26(14-15-27)18-19-6-4-3-5-7-19/h3-9,16,21,27-28H,2,10-15,17-18H2,1H3/p+1