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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

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