(2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]propanamide IUPAC Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propionamide Formula: C17H21ClN3O2+ MolecularWeight: 334.82054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H20ClN3O2/c1-12(21-9-7-14(8-10-21)20(2)3)17(22)19-15-11-13(18)5-6-16(15)23-4/h5-12H,1-4H3/p+1/t12-/m1/s1