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

Systemtic Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)allyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)allyl]-1,4-diazepane-1,4-diium Formula: C15H23N3O2+2 MolecularWeight: 277.36202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-16-9-5-11-17(13-12-16)10-4-7-14-6-2-3-8-15(14)18(19)20/h2-4,6-8H,5,9-13H2,1H3/p+2/b7-4+