(4-nitrophenyl)-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-nitrophenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-nitrophenyl)-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: (4-nitrophenyl)-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-nitrophenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-nitrophenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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