1-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-(4-chlorobenzyl)-4-methyl-1,4-diazepan-1-ium-5-one Formula: C13H18ClN2O+ MolecularWeight: 253.74782

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H17ClN2O/c1-15-8-9-16(7-6-13(15)17)10-11-2-4-12(14)5-3-11/h2-5H,6-10H2,1H3/p+1