(4-ethylpiperazin-4-ium-1-yl)-(2-nitrophenyl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(2-nitrophenyl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(2-nitrophenyl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(2-nitrophenyl)methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(2-nitrophenyl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(2-nitrophenyl)methanone Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3/c1-2-14-7-9-15(10-8-14)13(17)11-5-3-4-6-12(11)16(18)19/h3-6H,2,7-10H2,1H3/p+1