3-[[(4-chlorophenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4-chlorophenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-chlorophenyl)methyl-(3-pyridylmethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4-chlorophenyl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-chlorophenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(4-chlorobenzyl)-(3-pyridylmethyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H26ClN4S+ MolecularWeight: 377.95454

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)Cl)CC2=CN=CC=C2

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)Cl)CC2=CN=CC=C2

InChI

InChI=1S/C19H25ClN4S/c1-23(2)12-4-11-22-19(25)24(15-17-5-3-10-21-13-17)14-16-6-8-18(20)9-7-16/h3,5-10,13H,4,11-12,14-15H2,1-2H3,(H,22,25)/p+1