1-(1,4-diazepan-4-ium-1-yl)butan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)butan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)butan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-1-butanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)butan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)butan-1-one Formula: C9H19N2O+ MolecularWeight: 171.25996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC[NH2+]CC1

Isomeric SMILES

CCCC(=O)N1CCC[NH2+]CC1

InChI

InChI=1S/C9H18N2O/c1-2-4-9(12)11-7-3-5-10-6-8-11/h10H,2-8H2,1H3/p+1