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

Systemtic Name: 3-[[(2-chlorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(2-chlorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-chloro-N-[(2-hydroxyphenyl)methyl]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2-chlorophenyl)-[(2-hydroxyphenyl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-chlorophenyl)-salicyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H25ClN3OS+ MolecularWeight: 378.9393

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=CC=C1O)C2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=CC=C1O)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H24ClN3OS/c1-22(2)13-7-12-21-19(25)23(17-10-5-4-9-16(17)20)14-15-8-3-6-11-18(15)24/h3-6,8-11,24H,7,12-14H2,1-2H3,(H,21,25)/p+1