2-[4-(2-methoxy-5-methyl-phenyl)phenyl]sulfanylethylazanium

Systemtic Name: 2-[4-(2-methoxy-5-methyl-phenyl)phenyl]sulfanylethylazanium Openeye Name: 2-[4-(2-methoxy-5-methyl-phenyl)phenyl]sulfanylethylammonium CAS Name: 2-[[4-(2-methoxy-5-methylphenyl)phenyl]thio]ethylammonium IUPAC Name: 2-[4-(2-methoxy-5-methylphenyl)phenyl]sulfanylethylazanium Traditional Name: 2-[[4-(2-methoxy-5-methyl-phenyl)phenyl]thio]ethylammonium Formula: C16H20NOS+ MolecularWeight: 274.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2=CC=C(C=C2)SCC[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2=CC=C(C=C2)SCC[NH3+]

InChI

InChI=1S/C16H19NOS/c1-12-3-8-16(18-2)15(11-12)13-4-6-14(7-5-13)19-10-9-17/h3-8,11H,9-10,17H2,1-2H3/p+1