3-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-fluoro-N-[(2-hydroxyphenyl)methyl]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-fluorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(4-fluorophenyl)-salicyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H25FN3OS+ MolecularWeight: 362.484703

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=CC=C1O)C2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=CC=C1O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H24FN3OS/c1-22(2)13-5-12-21-19(25)23(17-10-8-16(20)9-11-17)14-15-6-3-4-7-18(15)24/h3-4,6-11,24H,5,12-14H2,1-2H3,(H,21,25)/p+1