(2-methylsulfanylpyridin-3-yl)-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone CAS Name: [2-(methylthio)-3-pyridinyl]-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone IUPAC Name: (2-methylsulfanylpyridin-3-yl)-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone Traditional Name: [2-(methylthio)-3-pyridyl]-[(5R)-9-phenethyl-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCC3(C2)CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CC[C@@]3(C2)CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3OS/c1-28-21-20(9-5-13-24-21)22(27)26-16-12-23(18-26)11-6-14-25(17-23)15-10-19-7-3-2-4-8-19/h2-5,7-9,13H,6,10-12,14-18H2,1H3/p+1/t23-/m0/s1