1-[(4-chlorophenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Openeye Name: 4-allyl-1-[(4-chlorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(4-chlorophenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Traditional Name: 4-allyl-1-(4-chlorobenzyl)-1,4-diazepan-1-ium-5-one Formula: C15H20ClN2O+ MolecularWeight: 279.7851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O/c1-2-8-18-11-10-17(9-7-15(18)19)12-13-3-5-14(16)6-4-13/h2-6H,1,7-12H2/p+1