4-chloranyl-2-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-6-nitro-phenolate Formula: C12H15ClN4O3 MolecularWeight: 298.7255

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C12H15ClN4O3/c1-15-2-4-16(5-3-15)14-8-9-6-10(13)7-11(12(9)18)17(19)20/h6-8,18H,2-5H2,1H3/b14-8-