1-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(4-chlorobenzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C13H21ClN2+2 MolecularWeight: 240.77224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC=C(C=C2)Cl

InChI

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