1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-(2-pyridylmethyl)piperazin-4-ium Formula: C18H24N3S+ MolecularWeight: 314.46826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C18H23N3S/c1-22-18-7-5-16(6-8-18)14-20-10-12-21(13-11-20)15-17-4-2-3-9-19-17/h2-9H,10-15H2,1H3/p+1