methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium Traditional Name: [2-keto-2-(4-pyrrolidinoanilino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C21H27N3OS/c1-23(15-17-5-11-20(26-2)12-6-17)16-21(25)22-18-7-9-19(10-8-18)24-13-3-4-14-24/h5-12H,3-4,13-16H2,1-2H3,(H,22,25)/p+1