N-[[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide

Systemtic Name: N-[[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide Openeye Name: N-[[(3S)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide CAS Name: N-[[(3S)-1-[(5-ethyl-2-furanyl)methyl]-3-piperidin-1-iumyl]methyl]-2,3-dimethoxybenzamide IUPAC Name: N-[[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxybenzamide Traditional Name: N-[[(3S)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]methyl]-2,3-dimethoxy-benzamide Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCCC(C2)CNC(=O)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC[C@H](C2)CNC(=O)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H30N2O4/c1-4-17-10-11-18(28-17)15-24-12-6-7-16(14-24)13-23-22(25)19-8-5-9-20(26-2)21(19)27-3/h5,8-11,16H,4,6-7,12-15H2,1-3H3,(H,23,25)/p+1/t16-/m0/s1