3-[4-(2-methoxy-5-methyl-phenyl)phenyl]sulfanylpropylazanium

Systemtic Name: 3-[4-(2-methoxy-5-methyl-phenyl)phenyl]sulfanylpropylazanium Openeye Name: 3-[4-(2-methoxy-5-methyl-phenyl)phenyl]sulfanylpropylammonium CAS Name: 3-[[4-(2-methoxy-5-methylphenyl)phenyl]thio]propylammonium IUPAC Name: 3-[4-(2-methoxy-5-methylphenyl)phenyl]sulfanylpropylazanium Traditional Name: 3-[[4-(2-methoxy-5-methyl-phenyl)phenyl]thio]propylammonium Formula: C17H22NOS+ MolecularWeight: 288.42768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NOS/c1-13-4-9-17(19-2)16(12-13)14-5-7-15(8-6-14)20-11-3-10-18/h4-9,12H,3,10-11,18H2,1-2H3/p+1