N-[[(3S)-1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[(3S)-1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[(3S)-1-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[(3S)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-piperidin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[(3S)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[(3S)-1-[3-(ethoxymethyl)-4-methoxy-benzyl]piperidin-1-ium-3-yl]methyl]-2-furamide Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=CO3)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C[NH+]2CCC[C@H](C2)CNC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C22H30N2O4/c1-3-27-16-19-12-17(8-9-20(19)26-2)14-24-10-4-6-18(15-24)13-23-22(25)21-7-5-11-28-21/h5,7-9,11-12,18H,3-4,6,10,13-16H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1