1-[(5R)-9-[(3-methoxyphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-[(5R)-9-[(3-methoxyphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[(5R)-9-[(3-methoxyphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[(5R)-9-[(3-methoxyphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-3-(methylthio)-1-propanone IUPAC Name: 1-[(5R)-9-[(3-methoxyphenyl)methyl]-3-aza-9-azoniaspiro[4.5]decan-3-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[(5R)-9-m-anisyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]-3-(methylthio)propan-1-one Formula: C20H31N2O2S+ MolecularWeight: 363.53734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC3(C2)CCN(C3)C(=O)CCSC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@@]3(C2)CCN(C3)C(=O)CCSC

InChI

InChI=1S/C20H30N2O2S/c1-24-18-6-3-5-17(13-18)14-21-10-4-8-20(15-21)9-11-22(16-20)19(23)7-12-25-2/h3,5-6,13H,4,7-12,14-16H2,1-2H3/p+1/t20-/m0/s1