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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(2S)-butan-2-yl]azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[(2S)-butan-2-yl]ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-[(2S)-butan-2-yl]azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C12H25N2O+ MolecularWeight: 213.3397

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(=O)N1CCCCCC1

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2O/c1-3-11(2)13-10-12(15)14-8-6-4-5-7-9-14/h11,13H,3-10H2,1-2H3/p+1/t11-/m0/s1