2-(3,5-dimethylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-16-11-17(2)13-19(12-16)26-15-22(25)23-14-20(21-8-7-18(3)27-21)24-9-5-4-6-10-24/h7-8,11-13,20H,4-6,9-10,14-15H2,1-3H3,(H,23,25)/p+1/t20-/m0/s1