1-(1,4-diazepan-4-ium-1-yl)-3,3-dimethyl-butan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3,3-dimethyl-butan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3,3-dimethyl-butan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3,3-dimethyl-1-butanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3,3-dimethylbutan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3,3-dimethyl-butan-1-one Formula: C11H23N2O+ MolecularWeight: 199.31312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22N2O/c1-11(2,3)9-10(14)13-7-4-5-12-6-8-13/h12H,4-9H2,1-3H3/p+1