[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(2S)-1-methoxypropan-2-yl]azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(2S)-1-methoxypropan-2-yl]azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-[(1S)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-[(2S)-1-methoxypropan-2-yl]azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-[(1S)-2-methoxy-1-methyl-ethyl]ammonium Formula: C12H25N2O2+ MolecularWeight: 229.3391

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)[NH2+]CC(=O)N1CCCCCC1

Isomeric SMILES

C[C@@H](COC)[NH2+]CC(=O)N1CCCCCC1

InChI

InChI=1S/C12H24N2O2/c1-11(10-16-2)13-9-12(15)14-7-5-3-4-6-8-14/h11,13H,3-10H2,1-2H3/p+1/t11-/m0/s1