2-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(2-chloro-4-nitro-benzoyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(2-chloro-4-nitro-benzoyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C18H24ClN4O4+ MolecularWeight: 395.86056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H23ClN4O4/c19-16-12-14(23(26)27)4-5-15(16)18(25)22-10-8-20(9-11-22)13-17(24)21-6-2-1-3-7-21/h4-5,12H,1-3,6-11,13H2/p+1