1-[4-[4-[(5-chloranyl-2-nitro-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-chloranyl-2-nitro-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(5-chloro-2-nitro-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(5-chloro-2-nitrophenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5-chloro-2-nitrophenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(5-chloro-2-nitro-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O3/c1-14(24)15-2-5-18(6-3-15)22-10-8-21(9-11-22)13-16-12-17(20)4-7-19(16)23(25)26/h2-7,12H,8-11,13H2,1H3/p+1