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

Systemtic Name: 3-[[(4-methoxyphenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(4-methoxyphenyl)methyl-(3-pyridylmethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4-methoxyphenyl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(4-methoxyphenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[[p-anisyl(3-pyridylmethyl)thiocarbamoyl]amino]propyl]ammonium Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4OS/c1-23(2)13-5-12-22-20(26)24(16-18-6-4-11-21-14-18)15-17-7-9-19(25-3)10-8-17/h4,6-11,14H,5,12-13,15-16H2,1-3H3,(H,22,26)/p+1