3-[[(4-dimethylaminophenyl)methyl-(pyridin-2-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(4-dimethylaminophenyl)methyl-(pyridin-2-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-dimethylaminophenyl)methyl-(2-pyridylmethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4-dimethylaminophenyl)methyl-(2-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-dimethylaminophenyl)methyl-(pyridin-2-ylmethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[[4-(dimethylamino)benzyl]-(2-pyridylmethyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H32N5S+ MolecularWeight: 386.57728

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)N(C)C)CC2=CC=CC=N2

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=C(C=C1)N(C)C)CC2=CC=CC=N2

InChI

InChI=1S/C21H31N5S/c1-24(2)15-7-14-23-21(27)26(17-19-8-5-6-13-22-19)16-18-9-11-20(12-10-18)25(3)4/h5-6,8-13H,7,14-17H2,1-4H3,(H,23,27)/p+1