[3-(2-chloranyl-6-nitro-phenoxy)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(2-chloranyl-6-nitro-phenoxy)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(2-chloro-6-nitro-phenoxy)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(2-chloro-6-nitrophenoxy)phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(2-chloro-6-nitrophenoxy)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(2-chloro-6-nitro-phenoxy)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H19ClN3O4+ MolecularWeight: 376.81416

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)OC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4/c1-20-8-10-21(11-9-20)18(23)13-4-2-5-14(12-13)26-17-15(19)6-3-7-16(17)22(24)25/h2-7,12H,8-11H2,1H3/p+1