1-[2-(chloromethyl)-4-nitro-phenyl]-4-methyl-1,4-diazepan-4-ium

Systemtic Name: 1-[2-(chloromethyl)-4-nitro-phenyl]-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-[2-(chloromethyl)-4-nitro-phenyl]-4-methyl-1,4-diazepan-4-ium CAS Name: 1-[2-(chloromethyl)-4-nitrophenyl]-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-[2-(chloromethyl)-4-nitrophenyl]-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-[2-(chloromethyl)-4-nitro-phenyl]-4-methyl-1,4-diazepan-4-ium Formula: C13H19ClN3O2+ MolecularWeight: 284.76186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O2/c1-15-5-2-6-16(8-7-15)13-4-3-12(17(18)19)9-11(13)10-14/h3-4,9H,2,5-8,10H2,1H3/p+1