2-[[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]amino]ethyl-dimethyl-ammonium Formula: C13H28N3O+ MolecularWeight: 242.38092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)NCC[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)NCC[NH+](C)C

InChI

InChI=1S/C13H27N3O/c1-12(14-8-11-15(2)3)13(17)16-9-6-4-5-7-10-16/h12,14H,4-11H2,1-3H3/p+1/t12-/m0/s1