1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(E)-3-(2-nitrophenyl)allyl]piperazin-4-ium CAS Name: 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(E)-3-(2-nitrophenyl)allyl]piperazin-4-ium Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2/c24-23(25)20-11-5-4-9-19(20)10-6-12-21-13-15-22(16-14-21)17-18-7-2-1-3-8-18/h1-11H,12-17H2/p+1/b10-6+