N-[[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-(4-ethoxy-3-methylol-benzyl)piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CN=CC=C3)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CN=CC=C3)CO

InChI

InChI=1S/C22H29N3O3/c1-2-28-21-8-7-17(11-20(21)16-26)14-25-10-4-5-18(15-25)12-24-22(27)19-6-3-9-23-13-19/h3,6-9,11,13,18,26H,2,4-5,10,12,14-16H2,1H3,(H,24,27)/p+1/t18-/m1/s1