1-(4-methylsulfanylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-(4-methylsulfanylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(4-methylsulfanylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-[4-(methylthio)phenyl]-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(4-methylsulfanylphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (E)-[4-(methylthio)benzylidene]-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C17H21N4S+ MolecularWeight: 313.44044

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=N/N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H20N4S/c1-22-16-7-5-15(6-8-16)14-19-21-12-10-20(11-13-21)17-4-2-3-9-18-17/h2-9,14H,10-13H2,1H3/p+1/b19-14+