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

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-phenethyl-azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-phenethyl-ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-phenethylammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-phenethylazanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-phenethyl-ammonium Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C17H26N2O/c1-15(17(20)19-13-7-2-3-8-14-19)18-12-11-16-9-5-4-6-10-16/h4-6,9-10,15,18H,2-3,7-8,11-14H2,1H3/p+1/t15-/m0/s1