2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]acetamide Formula: C22H30ClN2O3+ MolecularWeight: 405.9382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O3/c1-15-11-18(12-16(2)22(15)23)27-14-21(26)24-13-19(20-8-7-17(3)28-20)25-9-5-4-6-10-25/h7-8,11-12,19H,4-6,9-10,13-14H2,1-3H3,(H,24,26)/p+1/t19-/m0/s1