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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O2/c1-17-8-10-19(11-9-17)22-15-13-21(14-16-22)12-4-6-18-5-2-3-7-20(18)23(24)25/h2-11H,12-16H2,1H3/p+1/b6-4+