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

Systemtic Name: 1-[4-(chloromethyl)phenyl]-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-[4-(chloromethyl)phenyl]-4-methyl-1,4-diazepan-4-ium CAS Name: 1-[4-(chloromethyl)phenyl]-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-[4-(chloromethyl)phenyl]-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-[4-(chloromethyl)phenyl]-4-methyl-1,4-diazepan-4-ium Formula: C13H20ClN2+ MolecularWeight: 239.7643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2/c1-15-7-2-8-16(10-9-15)13-5-3-12(11-14)4-6-13/h3-6H,2,7-11H2,1H3/p+1