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

Systemtic Name: (3R)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(3-ethoxy-4-hydroxy-benzyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC(=C(C=C2)O)OCC

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1CCC[NH+](C1)CC2=CC(=C(C=C2)O)OCC

InChI

InChI=1S/C19H30N2O3/c1-4-21(5-2)19(23)16-8-7-11-20(14-16)13-15-9-10-17(22)18(12-15)24-6-3/h9-10,12,16,22H,4-8,11,13-14H2,1-3H3/p+1/t16-/m1/s1