[4-methoxy-2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-methoxy-2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-methoxy-2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-methoxy-2-[[1-[3-(methylthio)propyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-methoxy-2-[1-(3-methylsulfanylpropyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-methoxy-2-[1-[3-(methylthio)propyl]piperidin-1-ium-4-yl]oxy-phenyl]-pyrrolidino-methanone Formula: C21H33N2O3S+ MolecularWeight: 393.56332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CCCSC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CC[NH+](CC3)CCCSC

InChI

InChI=1S/C21H32N2O3S/c1-25-18-6-7-19(21(24)23-11-3-4-12-23)20(16-18)26-17-8-13-22(14-9-17)10-5-15-27-2/h6-7,16-17H,3-5,8-15H2,1-2H3/p+1