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

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(2,4-dichlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(2,4-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=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

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