3-methylbutyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: 3-methylbutyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: isopentyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 3-methylbutyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 3-methylbutyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: isoamyl-[4-(methylthio)benzyl]ammonium Formula: C13H22NS+ MolecularWeight: 224.38548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NS/c1-11(2)8-9-14-10-12-4-6-13(15-3)7-5-12/h4-7,11,14H,8-10H2,1-3H3/p+1