1-(1,4-diazepan-4-ium-1-yl)-3-methyl-but-2-en-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3-methyl-but-2-en-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3-methyl-but-2-en-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3-methyl-2-buten-1-one IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3-methylbut-2-en-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3-methyl-but-2-en-1-one Formula: C10H19N2O+ MolecularWeight: 183.27066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18N2O/c1-9(2)8-10(13)12-6-3-4-11-5-7-12/h8,11H,3-7H2,1-2H3/p+1