[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-chloranyl-4-methoxy-phenyl)azanium

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-(3-chloranyl-4-methoxy-phenyl)azanium Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-(3-chloro-4-methoxy-phenyl)ammonium CAS Name: [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-(3-chloro-4-methoxyphenyl)ammonium IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-(3-chloro-4-methoxyphenyl)azanium Traditional Name: [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-(3-chloro-4-methoxy-phenyl)ammonium Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O2/c1-12(16(20)19-9-5-3-4-6-10-19)18-13-7-8-15(21-2)14(17)11-13/h7-8,11-12,18H,3-6,9-10H2,1-2H3/p+1/t12-/m1/s1