1-[(3,4-dichlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(3,4-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=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H18Cl2N2/c1-16-5-2-6-17(8-7-16)10-11-3-4-12(14)13(15)9-11/h3-4,9H,2,5-8,10H2,1H3/p+2