methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-(isopropylamino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-(isopropylamino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C14H23N2OS+ MolecularWeight: 267.41022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2OS/c1-11(2)15-14(17)10-16(3)9-12-5-7-13(18-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,15,17)/p+1