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

Systemtic Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-1-ium Openeye Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)allyl]piperazin-1-ium CAS Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-1-ium Traditional Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)allyl]piperazin-1-ium Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1/b6-4+