(4-ethylpiperazin-4-ium-1-yl)-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(3-methyl-4-nitro-phenyl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(3-methyl-4-nitro-phenyl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(3-methyl-4-nitrophenyl)methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(3-methyl-4-nitrophenyl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(3-methyl-4-nitro-phenyl)methanone Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3/c1-3-15-6-8-16(9-7-15)14(18)12-4-5-13(17(19)20)11(2)10-12/h4-5,10H,3,6-9H2,1-2H3/p+1