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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1CCC[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+1