(4-chlorophenyl)-[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone

Systemtic Name: (4-chlorophenyl)-[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone Openeye Name: (4-chlorophenyl)-[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone CAS Name: (4-chlorophenyl)-[2-(4-ethyl-1-piperazin-4-iumyl)-5-nitrophenyl]methanone IUPAC Name: (4-chlorophenyl)-[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitrophenyl]methanone Traditional Name: (4-chlorophenyl)-[2-(4-ethylpiperazin-4-ium-1-yl)-5-nitro-phenyl]methanone Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3O3/c1-2-21-9-11-22(12-10-21)18-8-7-16(23(25)26)13-17(18)19(24)14-3-5-15(20)6-4-14/h3-8,13H,2,9-12H2,1H3/p+1