1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-4-phenyl-butan-2-one

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-4-phenyl-butan-2-one Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-4-phenyl-butan-2-one CAS Name: 1-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-4-phenyl-2-butanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-4-phenylbutan-2-one Traditional Name: 1-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-4-phenyl-butan-2-one Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)CCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)CCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c24-20(11-6-17-4-2-1-3-5-17)16-21-12-14-22(15-13-21)18-7-9-19(10-8-18)23(25)26/h1-5,7-10H,6,11-16H2/p+1