methyl-[3-[(2-methyl-4-oxidanylidene-pentan-2-yl)amino]-3-oxidanylidene-propyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: methyl-[3-[(2-methyl-4-oxidanylidene-pentan-2-yl)amino]-3-oxidanylidene-propyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [3-[(1,1-dimethyl-3-oxo-butyl)amino]-3-oxo-propyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[3-[(2-methyl-4-oxopentan-2-yl)amino]-3-oxopropyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[3-[(2-methyl-4-oxopentan-2-yl)amino]-3-oxopropyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [3-keto-3-[(3-keto-1,1-dimethyl-butyl)amino]propyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H29N2O2S+ MolecularWeight: 337.50006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CC[NH+](C)CC1=CC=C(C=C1)SC

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CC[NH+](C)CC1=CC=C(C=C1)SC

InChI

InChI=1S/C18H28N2O2S/c1-14(21)12-18(2,3)19-17(22)10-11-20(4)13-15-6-8-16(23-5)9-7-15/h6-9H,10-13H2,1-5H3,(H,19,22)/p+1