3,3-dimethyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butan-2-one Openeye Name: 3,3-dimethyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butan-2-one CAS Name: 3,3-dimethyl-1-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butan-2-one Traditional Name: 3,3-dimethyl-1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]butan-2-one Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-16(2,3)15(20)12-17-8-10-18(11-9-17)13-4-6-14(7-5-13)19(21)22/h4-7H,8-12H2,1-3H3/p+1