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

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-[(2S)-butan-2-yl]azanium Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-[(2S)-butan-2-yl]ammonium IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-[(2S)-butan-2-yl]azanium Traditional Name: [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C13H27N2O+ MolecularWeight: 227.36628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O/c1-4-11(2)14-12(3)13(16)15-9-7-5-6-8-10-15/h11-12,14H,4-10H2,1-3H3/p+1/t11-,12+/m0/s1