dimethyl-[3-[[(R)-phenyl(pyridin-4-yl)methyl]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(R)-phenyl(pyridin-4-yl)methyl]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[(R)-phenyl(4-pyridyl)methyl]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[(R)-phenyl(pyridin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(R)-phenyl(pyridin-4-yl)methyl]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[(R)-phenyl(4-pyridyl)methyl]thiocarbamoylamino]propyl]ammonium Formula: C18H25N4S+ MolecularWeight: 329.4829

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC(C1=CC=CC=C1)C2=CC=NC=C2

Isomeric SMILES

C[NH+](C)CCCNC(=S)N[C@H](C1=CC=CC=C1)C2=CC=NC=C2

InChI

InChI=1S/C18H24N4S/c1-22(2)14-6-11-20-18(23)21-17(15-7-4-3-5-8-15)16-9-12-19-13-10-16/h3-5,7-10,12-13,17H,6,11,14H2,1-2H3,(H2,20,21,23)/p+1/t17-/m1/s1