1-[4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(4-isopentylpiperazin-4-ium-1-yl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-(3-methylbutyl)-1-piperazin-4-iumyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(3-methylbutyl)piperazin-4-ium-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-(4-isoamylpiperazin-4-ium-1-yl)-3-nitro-phenyl]ethanone Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-13(2)6-7-18-8-10-19(11-9-18)16-5-4-15(14(3)21)12-17(16)20(22)23/h4-5,12-13H,6-11H2,1-3H3/p+1