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

Systemtic Name: 1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(2-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-ethoxy-2-hydroxy-benzyl)-N-(2-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H27N3O3/c1-2-27-19-8-5-6-17(20(19)25)15-24-12-9-16(10-13-24)21(26)23-14-18-7-3-4-11-22-18/h3-8,11,16,25H,2,9-10,12-15H2,1H3,(H,23,26)/p+1