(4-methylsulfanylphenyl)methyl-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium Openeye Name: (4-methylsulfanylphenyl)methyl-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]ammonium CAS Name: [4-(methylthio)phenyl]methyl-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: (4-methylsulfanylphenyl)methyl-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]azanium Traditional Name: [4-(2-ketopyrrolidino)benzyl]-[4-(methylthio)benzyl]ammonium Formula: C19H23N2OS+ MolecularWeight: 327.46372

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C19H22N2OS/c1-23-18-10-6-16(7-11-18)14-20-13-15-4-8-17(9-5-15)21-12-2-3-19(21)22/h4-11,20H,2-3,12-14H2,1H3/p+1