3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(3-fluoranyl-4-methyl-phenyl)carbamothioylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(3-fluoro-4-methyl-phenyl)carbamothioylamino]propyl]-methyl-ammonium CAS Name: 3-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(3-fluoro-4-methylphenyl)carbamothioylamino]propyl]-methylazanium Traditional Name: benzyl-[3-[(3-fluoro-4-methyl-phenyl)thiocarbamoylamino]propyl]-methyl-ammonium Formula: C19H25FN3S+ MolecularWeight: 346.485303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCC[NH+](C)CC2=CC=CC=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCC[NH+](C)CC2=CC=CC=C2)F

InChI

InChI=1S/C19H24FN3S/c1-15-9-10-17(13-18(15)20)22-19(24)21-11-6-12-23(2)14-16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H2,21,22,24)/p+1