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

Systemtic Name: 3-methoxypropyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 3-methoxypropyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 3-methoxypropyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 3-methoxypropyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: 3-methoxypropyl-[4-(methylthio)benzyl]ammonium Formula: C12H20NOS+ MolecularWeight: 226.3583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NOS/c1-14-9-3-8-13-10-11-4-6-12(15-2)7-5-11/h4-7,13H,3,8-10H2,1-2H3/p+1