(E)-1-(1,4-diazepan-4-ium-1-yl)but-2-en-1-one

Systemtic Name: (E)-1-(1,4-diazepan-4-ium-1-yl)but-2-en-1-one Openeye Name: (E)-1-(1,4-diazepan-4-ium-1-yl)but-2-en-1-one CAS Name: (E)-1-(1,4-diazepan-4-ium-1-yl)-2-buten-1-one IUPAC Name: (E)-1-(1,4-diazepan-4-ium-1-yl)but-2-en-1-one Traditional Name: (E)-1-(1,4-diazepan-4-ium-1-yl)but-2-en-1-one Formula: C9H17N2O+ MolecularWeight: 169.24408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCC[NH2+]CC1

Isomeric SMILES

C/C=C/C(=O)N1CCC[NH2+]CC1

InChI

InChI=1S/C9H16N2O/c1-2-4-9(12)11-7-3-5-10-6-8-11/h2,4,10H,3,5-8H2,1H3/p+1/b4-2+