4-(2-methoxy-4,5-dimethyl-phenyl)sulfanylbutylazanium

Systemtic Name: 4-(2-methoxy-4,5-dimethyl-phenyl)sulfanylbutylazanium Openeye Name: 4-(2-methoxy-4,5-dimethyl-phenyl)sulfanylbutylammonium CAS Name: 4-[(2-methoxy-4,5-dimethylphenyl)thio]butylammonium IUPAC Name: 4-(2-methoxy-4,5-dimethylphenyl)sulfanylbutylazanium Traditional Name: 4-[(2-methoxy-4,5-dimethyl-phenyl)thio]butylammonium Formula: C13H22NOS+ MolecularWeight: 240.38488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)SCCCC[NH3+])OC

Isomeric SMILES

CC1=CC(=C(C=C1C)SCCCC[NH3+])OC

InChI

InChI=1S/C13H21NOS/c1-10-8-12(15-3)13(9-11(10)2)16-7-5-4-6-14/h8-9H,4-7,14H2,1-3H3/p+1