N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenoxy-ethanamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-phenoxyacetamide Traditional Name: N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-phenoxy-acetamide Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)COC2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)COC2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C20H26N2O3/c1-16-10-11-19(25-16)18(22-12-6-3-7-13-22)14-21-20(23)15-24-17-8-4-2-5-9-17/h2,4-5,8-11,18H,3,6-7,12-15H2,1H3,(H,21,23)/p+1/t18-/m0/s1