1-[(Z)-1-methylsulfanyl-2-nitro-ethenyl]-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-[(Z)-1-methylsulfanyl-2-nitro-ethenyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(Z)-1-methylsulfanyl-2-nitro-vinyl]piperazin-1-ium CAS Name: 1-[(Z)-1-(methylthio)-2-nitroethenyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(Z)-1-methylsulfanyl-2-nitroethenyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[(Z)-1-(methylthio)-2-nitro-vinyl]piperazin-1-ium Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C[N+](=O)[O-])N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CS/C(=C\[N+](=O)[O-])/N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C14H19N3O2S/c1-20-14(12-17(18)19)16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3/p+1/b14-12-