1-[(4-methylsulfanylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[4-(methylthio)benzyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C17H22N3S+ MolecularWeight: 300.44168

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H21N3S/c1-21-16-7-5-15(6-8-16)14-19-10-12-20(13-11-19)17-4-2-3-9-18-17/h2-9H,10-14H2,1H3/p+1