1-[(4-chlorophenyl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-(4-chlorobenzyl)-1,4-diazepan-1-ium Formula: C12H18ClN2+ MolecularWeight: 225.73772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2/c13-12-4-2-11(3-5-12)10-15-8-1-6-14-7-9-15/h2-5,14H,1,6-10H2/p+1