[4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-[[4-(methylthio)phenyl]methyl]-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[4-(methylthio)benzyl]piperazin-4-ium-1-yl]-(3-pyridyl)methanone Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H21N3OS/c1-23-17-6-4-15(5-7-17)14-20-9-11-21(12-10-20)18(22)16-3-2-8-19-13-16/h2-8,13H,9-12,14H2,1H3/p+1