(4-nitrophenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-nitrophenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-isopropylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanone CAS Name: (4-nitrophenyl)-(4-propan-2-yl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-nitrophenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-isopropylpiperazin-4-ium-1-yl)-(4-nitrophenyl)methanone Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3/c1-11(2)15-7-9-16(10-8-15)14(18)12-3-5-13(6-4-12)17(19)20/h3-6,11H,7-10H2,1-2H3/p+1