(5-chloranyl-2-nitro-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (5-chloranyl-2-nitro-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-chloro-2-nitro-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (5-chloro-2-nitrophenyl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-chloro-2-nitrophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (5-chloro-2-nitro-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C13H17ClN3O3+ MolecularWeight: 298.74538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O3/c1-2-15-5-7-16(8-6-15)13(18)11-9-10(14)3-4-12(11)17(19)20/h3-4,9H,2,5-8H2,1H3/p+1