[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(4-chlorophenyl)azanium

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(4-chlorophenyl)azanium Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(4-chlorophenyl)ammonium CAS Name: [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-(4-chlorophenyl)ammonium IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(4-chlorophenyl)azanium Traditional Name: [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(4-chlorophenyl)ammonium Formula: C15H22ClN2O+ MolecularWeight: 281.80098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O/c1-12(17-14-8-6-13(16)7-9-14)15(19)18-10-4-2-3-5-11-18/h6-9,12,17H,2-5,10-11H2,1H3/p+1/t12-/m0/s1