2-(2-methylpropanoylamino)ethyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: 2-(2-methylpropanoylamino)ethyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 2-(2-methylpropanoylamino)ethyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 2-[(2-methyl-1-oxopropyl)amino]ethyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 2-(2-methylpropanoylamino)ethyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: 2-(isobutyrylamino)ethyl-[4-(methylthio)benzyl]ammonium Formula: C14H23N2OS+ MolecularWeight: 267.41022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]CC1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)C(=O)NCC[NH2+]CC1=CC=C(C=C1)SC

InChI

InChI=1S/C14H22N2OS/c1-11(2)14(17)16-9-8-15-10-12-4-6-13(18-3)7-5-12/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)/p+1