1-[(4-methylsulfanylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[4-(methylthio)benzyl]-4-(3-nitrobenzyl)piperazine-1,4-diium Formula: C19H25N3O2S+2 MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O2S/c1-25-19-7-5-16(6-8-19)14-20-9-11-21(12-10-20)15-17-3-2-4-18(13-17)22(23)24/h2-8,13H,9-12,14-15H2,1H3/p+2