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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-[(1S)-1-phenylethyl]azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-[(1S)-1-phenylethyl]ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-[(1S)-1-phenylethyl]ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-[(1S)-1-phenylethyl]ammonium Formula: C16H25N2O+ MolecularWeight: 261.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)N2CCCCCC2

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH2+]CC(=O)N2CCCCCC2

InChI

InChI=1S/C16H24N2O/c1-14(15-9-5-4-6-10-15)17-13-16(19)18-11-7-2-3-8-12-18/h4-6,9-10,14,17H,2-3,7-8,11-13H2,1H3/p+1/t14-/m0/s1