1-[(5-chloranyl-2-nitro-phenyl)methyl]-4-methyl-1,4-diazepan-4-ium

Systemtic Name: 1-[(5-chloranyl-2-nitro-phenyl)methyl]-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-[(5-chloro-2-nitro-phenyl)methyl]-4-methyl-1,4-diazepan-4-ium CAS Name: 1-[(5-chloro-2-nitrophenyl)methyl]-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-[(5-chloro-2-nitrophenyl)methyl]-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-(5-chloro-2-nitro-benzyl)-4-methyl-1,4-diazepan-4-ium Formula: C13H19ClN3O2+ MolecularWeight: 284.76186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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