dimethyl-[3-[[3-oxidanylidene-2-(phenylmethyl)-5-(phenylmethylsulfanyl)pyridazin-4-yl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[3-oxidanylidene-2-(phenylmethyl)-5-(phenylmethylsulfanyl)pyridazin-4-yl]amino]propyl]azanium Openeye Name: 3-[(2-benzyl-5-benzylsulfanyl-3-oxo-pyridazin-4-yl)amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[3-oxo-2-(phenylmethyl)-5-(phenylmethylthio)-4-pyridazinyl]amino]propyl]ammonium IUPAC Name: 3-[(2-benzyl-5-benzylsulfanyl-3-oxopyridazin-4-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[2-benzyl-5-(benzylthio)-3-keto-pyridazin-4-yl]amino]propyl-dimethyl-ammonium Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C(C=NN(C1=O)CC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCNC1=C(C=NN(C1=O)CC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-26(2)15-9-14-24-22-21(29-18-20-12-7-4-8-13-20)16-25-27(23(22)28)17-19-10-5-3-6-11-19/h3-8,10-13,16,24H,9,14-15,17-18H2,1-2H3/p+1