1-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-one

Systemtic Name: 1-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-one Openeye Name: 1-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-one CAS Name: 1-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-4-piperidin-1-iumone IUPAC Name: 1-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-one Traditional Name: 1-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-one Formula: C14H25N2O2+ MolecularWeight: 253.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH+]2CCC(=O)CC2

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH+]2CCC(=O)CC2

InChI

InChI=1S/C14H24N2O2/c1-12(15-10-6-13(17)7-11-15)14(18)16-8-4-2-3-5-9-16/h12H,2-11H2,1H3/p+1/t12-/m0/s1