1-[4-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(1R)-1-(3-nitrophenyl)ethyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C20H23N3O3/c1-15(18-4-3-5-20(14-18)23(25)26)21-10-12-22(13-11-21)19-8-6-17(7-9-19)16(2)24/h3-9,14-15H,10-13H2,1-2H3/p+1/t15-/m1/s1