1-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-(2,4-dichlorobenzyl)-1,4-diazepan-1-ium Formula: C12H17Cl2N2+ MolecularWeight: 260.18278

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1CNCC[NH+](C1)CC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H16Cl2N2/c13-11-3-2-10(12(14)8-11)9-16-6-1-4-15-5-7-16/h2-3,8,15H,1,4-7,9H2/p+1