[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(4-tert-butylanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(4-tert-butylanilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H28N2OS/c1-21(2,3)17-8-10-18(11-9-17)22-20(24)15-23(4)14-16-6-12-19(25-5)13-7-16/h6-13H,14-15H2,1-5H3,(H,22,24)/p+1