1-[[2,3-bis(chloranyl)phenyl]methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[[2,3-bis(chloranyl)phenyl]methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(2,3-dichlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(2,3-dichlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(2,3-dichlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(2,3-dichlorobenzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C13H20Cl2N2+2 MolecularWeight: 275.2173

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C13H18Cl2N2/c1-16-6-3-7-17(9-8-16)10-11-4-2-5-12(14)13(11)15/h2,4-5H,3,6-10H2,1H3/p+2