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

Systemtic Name: 1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(3-ethoxy-2-hydroxy-benzyl)-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3/c1-2-28-21-10-6-9-20(22(21)26)17-25-15-12-19(13-16-25)23(27)24-14-11-18-7-4-3-5-8-18/h3-10,19,26H,2,11-17H2,1H3,(H,24,27)/p+1