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

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-[(2-chlorophenyl)methyl]azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-[(2-chlorophenyl)methyl]ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-[(2-chlorophenyl)methyl]ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-[(2-chlorophenyl)methyl]azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(2-chlorobenzyl)ammonium Formula: C16H24ClN2O+ MolecularWeight: 295.82756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)[NH2+]CC2=CC=CC=C2Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)[NH2+]CC2=CC=CC=C2Cl

InChI

InChI=1S/C16H23ClN2O/c1-13(16(20)19-10-6-2-3-7-11-19)18-12-14-8-4-5-9-15(14)17/h4-5,8-9,13,18H,2-3,6-7,10-12H2,1H3/p+1/t13-/m0/s1