1-[[2,3-bis(chloranyl)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium

Systemtic Name: 1-[[2,3-bis(chloranyl)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(2,3-dichlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(2,3-dichlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(2,3-dichlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(2,3-dichlorobenzyl)-4-methyl-1,4-diazepan-1-ium Formula: C13H19Cl2N2+ MolecularWeight: 274.20936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1CCC[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+1