4-(4-methoxy-3-methyl-phenyl)sulfanylbutylazanium

Systemtic Name: 4-(4-methoxy-3-methyl-phenyl)sulfanylbutylazanium Openeye Name: 4-(4-methoxy-3-methyl-phenyl)sulfanylbutylammonium CAS Name: 4-[(4-methoxy-3-methylphenyl)thio]butylammonium IUPAC Name: 4-(4-methoxy-3-methylphenyl)sulfanylbutylazanium Traditional Name: 4-[(4-methoxy-3-methyl-phenyl)thio]butylammonium Formula: C12H20NOS+ MolecularWeight: 226.3583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCCC[NH3+])OC

Isomeric SMILES

CC1=C(C=CC(=C1)SCCCC[NH3+])OC

InChI

InChI=1S/C12H19NOS/c1-10-9-11(5-6-12(10)14-2)15-8-4-3-7-13/h5-6,9H,3-4,7-8,13H2,1-2H3/p+1