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

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-[4-(1-piperidyl)anilino]ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-[4-(1-piperidinyl)anilino]ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]azanium Traditional Name: [2-keto-2-(4-piperidinoanilino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C22H30N3OS+ MolecularWeight: 384.5581

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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)N3CCCCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C22H29N3OS/c1-24(16-18-6-12-21(27-2)13-7-18)17-22(26)23-19-8-10-20(11-9-19)25-14-4-3-5-15-25/h6-13H,3-5,14-17H2,1-2H3,(H,23,26)/p+1