2-[(2-chloranyl-4-nitro-phenyl)-methyl-amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)-methyl-amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(2-chloro-N-methyl-4-nitro-anilino)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-(2-chloro-N-methyl-4-nitroanilino)-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(2-chloro-N-methyl-4-nitroanilino)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(2-chloro-N-methyl-4-nitro-anilino)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C14H20ClN4O3+ MolecularWeight: 327.7866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN4O3/c1-16-5-7-18(8-6-16)14(20)10-17(2)13-4-3-11(19(21)22)9-12(13)15/h3-4,9H,5-8,10H2,1-2H3/p+1