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

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3-methyl-butan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3-methyl-butan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3-methyl-1-butanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3-methylbutan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3-methyl-butan-1-one Formula: C10H21N2O+ MolecularWeight: 185.28654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20N2O/c1-9(2)8-10(13)12-6-3-4-11-5-7-12/h9,11H,3-8H2,1-2H3/p+1