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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C(=CC=C2)Cl)CCl

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C(=CC=C2)Cl)CCl

InChI

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