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

Systemtic Name: 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(3-ethoxy-4-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=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3)O

InChI

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