1-methyl-4-[3-(1-methylimidazol-2-yl)sulfanyl-4-nitro-phenyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[3-(1-methylimidazol-2-yl)sulfanyl-4-nitro-phenyl]piperazin-1-ium Openeye Name: 1-methyl-4-[3-(1-methylimidazol-2-yl)sulfanyl-4-nitro-phenyl]piperazin-1-ium CAS Name: 1-methyl-4-[3-[(1-methyl-2-imidazolyl)thio]-4-nitrophenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[3-(1-methylimidazol-2-yl)sulfanyl-4-nitrophenyl]piperazin-1-ium Traditional Name: 1-methyl-4-[3-[(1-methylimidazol-2-yl)thio]-4-nitro-phenyl]piperazin-1-ium Formula: C15H20N5O2S+ MolecularWeight: 334.4166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC=CN3C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC=CN3C

InChI

InChI=1S/C15H19N5O2S/c1-17-7-9-19(10-8-17)12-3-4-13(20(21)22)14(11-12)23-15-16-5-6-18(15)2/h3-6,11H,7-10H2,1-2H3/p+1