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

Systemtic Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)allyl]-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-[(E)-3-(2-nitrophenyl)allyl]-1,4-diazepan-1-ium Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCCN(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+1/b7-4+