3-methylsulfanyl-1-[(3S)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-methylsulfanyl-1-[(3S)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]propan-1-one Openeye Name: 3-methylsulfanyl-1-[(3S)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-(methylthio)-1-[(3S)-3-(1-phenethyl-4-piperidin-1-iumyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-methylsulfanyl-1-[(3S)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]propan-1-one Traditional Name: 3-(methylthio)-1-[(3S)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidino]propan-1-one Formula: C21H33N2OS+ MolecularWeight: 361.56452

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCC(C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CSCCC(=O)N1CC[C@H](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H32N2OS/c1-25-16-11-21(24)23-15-10-20(17-23)19-8-13-22(14-9-19)12-7-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3/p+1/t20-/m1/s1