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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-ethyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(4-chlorophenyl)methyl]-4-ethyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(4-chlorophenyl)methyl]-4-ethyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-ethyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-(4-chlorobenzyl)-4-ethyl-1,4-diazepan-1-ium-5-one Formula: C14H20ClN2O+ MolecularWeight: 267.7744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H19ClN2O/c1-2-17-10-9-16(8-7-14(17)18)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3/p+1