[2,5-dibutoxy-4-(4-methylphenyl)sulfanyl-phenyl]azanium

Systemtic Name: [2,5-dibutoxy-4-(4-methylphenyl)sulfanyl-phenyl]azanium Openeye Name: [2,5-dibutoxy-4-(p-tolylsulfanyl)phenyl]ammonium CAS Name: [2,5-dibutoxy-4-[(4-methylphenyl)thio]phenyl]ammonium IUPAC Name: [2,5-dibutoxy-4-(4-methylphenyl)sulfanylphenyl]azanium Traditional Name: [2,5-dibutoxy-4-(p-tolylthio)phenyl]ammonium Formula: C21H30NO2S+ MolecularWeight: 360.5334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1[NH3+])OCCCC)SC2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1[NH3+])OCCCC)SC2=CC=C(C=C2)C

InChI

InChI=1S/C21H29NO2S/c1-4-6-12-23-19-15-21(25-17-10-8-16(3)9-11-17)20(14-18(19)22)24-13-7-5-2/h8-11,14-15H,4-7,12-13,22H2,1-3H3/p+1