1-[4-[4-[3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[3-(2-nitrophenyl)allyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[3-(2-nitrophenyl)prop-2-enyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[3-(2-nitrophenyl)allyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC=CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3/c1-17(25)18-8-10-20(11-9-18)23-15-13-22(14-16-23)12-4-6-19-5-2-3-7-21(19)24(26)27/h2-11H,12-16H2,1H3/p+1