2-methoxy-4-methylsulfanyl-N-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide

Systemtic Name: 2-methoxy-4-methylsulfanyl-N-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]benzamide Openeye Name: N-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-2-methoxy-4-(methylthio)benzamide Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NC2=CC(=C(C=C2)O)C[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NC2=CC(=C(C=C2)O)C[NH+]3CCCCC3

InChI

InChI=1S/C21H26N2O3S/c1-26-20-13-17(27-2)7-8-18(20)21(25)22-16-6-9-19(24)15(12-16)14-23-10-4-3-5-11-23/h6-9,12-13,24H,3-5,10-11,14H2,1-2H3,(H,22,25)/p+1