1-(furan-2-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(furan-2-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(2-furylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(2-furanylmethyl)-4-[[4-(methylthio)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-(furan-2-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-furfuryl)-4-[4-(methylthio)benzyl]piperazine-1,4-diium Formula: C17H24N2OS+2 MolecularWeight: 304.45026

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C17H22N2OS/c1-21-17-6-4-15(5-7-17)13-18-8-10-19(11-9-18)14-16-3-2-12-20-16/h2-7,12H,8-11,13-14H2,1H3/p+2