4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 4-(1,3-dioxo-2-isoindolyl)butyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: methyl-[4-(methylthio)benzyl]-(4-phthalimidobutyl)ammonium Formula: C21H25N2O2S+ MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+](CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H24N2O2S/c1-22(15-16-9-11-17(26-2)12-10-16)13-5-6-14-23-20(24)18-7-3-4-8-19(18)21(23)25/h3-4,7-12H,5-6,13-15H2,1-2H3/p+1