(4-methylsulfanylphenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: (4-methylsulfanylphenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (4-methylsulfanylphenyl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium CAS Name: [4-(methylthio)phenyl]methyl-(3-pyridinylmethyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: (4-methylsulfanylphenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Traditional Name: [4-(methylthio)benzyl]-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium Formula: C20H22N3S+ MolecularWeight: 336.47378

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CN=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C20H21N3S/c1-24-20-6-4-17(5-7-20)14-23(15-18-8-11-21-12-9-18)16-19-3-2-10-22-13-19/h2-13H,14-16H2,1H3/p+1