2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-(1-isopropylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-N-(1-propan-2-yl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-N-(1-isopropylpiperidin-1-ium-4-yl)acetamide Formula: C20H31N2O3S+ MolecularWeight: 379.53674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)CSCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)CSCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C20H30N2O3S/c1-14(2)22-9-7-18(8-10-22)21-20(24)13-26-12-17-11-16(15(3)23)5-6-19(17)25-4/h5-6,11,14,18H,7-10,12-13H2,1-4H3,(H,21,24)/p+1