4-ethyl-1-(3-phenylpropyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-(3-phenylpropyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-(3-phenylpropyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-(3-phenylpropyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-(3-phenylpropyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-(3-phenylpropyl)-1,4-diazepan-1-ium-5-one Formula: C16H25N2O+ MolecularWeight: 261.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CCCC2=CC=CC=C2

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O/c1-2-18-14-13-17(12-10-16(18)19)11-6-9-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3/p+1