N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[(3R)-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide CAS Name: N-[[(3R)-1-[[5-(methoxymethyl)-2-furanyl]methyl]-3-piperidin-1-iumyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[(3R)-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(O1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COCC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3/c1-30-19-25-14-13-24(31-25)18-28-15-5-6-20(17-28)16-27-26(29)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-14,20H,5-6,15-19H2,1H3,(H,27,29)/p+1/t20-/m1/s1