1-[(3-chlorophenyl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[(3-chlorophenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(3-chlorophenyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-[(3-chlorophenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(3-chlorophenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-(3-chlorobenzyl)-1,4-diazepan-1-ium Formula: C12H18ClN2+ MolecularWeight: 225.73772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2/c13-12-4-1-3-11(9-12)10-15-7-2-5-14-6-8-15/h1,3-4,9,14H,2,5-8,10H2/p+1