dimethyl-[(1S)-1-phenyl-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]ethyl]ammonium Formula: C17H26N3OS2+ MolecularWeight: 352.53784

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CSC(=S)N1CCCC1)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CSC(=S)N1CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C17H25N3OS2/c1-19(2)15(14-8-4-3-5-9-14)12-18-16(21)13-23-17(22)20-10-6-7-11-20/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,18,21)/p+1/t15-/m1/s1