1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)allyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)allyl]piperazine-1,4-diium Formula: C14H21N3O2+2 MolecularWeight: 263.33544

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O2/c1-15-9-11-16(12-10-15)8-4-6-13-5-2-3-7-14(13)17(18)19/h2-7H,8-12H2,1H3/p+2/b6-4+