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

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)hexan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)hexan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-1-hexanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)hexan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)hexan-1-one Formula: C11H23N2O+ MolecularWeight: 199.31312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC[NH2+]CC1

Isomeric SMILES

CCCCCC(=O)N1CCC[NH2+]CC1

InChI

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