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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(E)-3-(2-nitrophenyl)allyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(E)-3-(2-nitrophenyl)allyl]piperazin-4-ium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-17-7-5-11-20(18(17)2)23-15-13-22(14-16-23)12-6-9-19-8-3-4-10-21(19)24(25)26/h3-11H,12-16H2,1-2H3/p+1/b9-6+