[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylazanium

Systemtic Name: [3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylazanium Openeye Name: [3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylammonium CAS Name: [3-chloro-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methylammonium IUPAC Name: [3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylazanium Traditional Name: [3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]ammonium Formula: C14H23ClN2O2+2 MolecularWeight: 286.79762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH3+])Cl)OCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH3+])Cl)OCC[NH+]2CCCC2

InChI

InChI=1S/C14H21ClN2O2/c1-18-13-9-11(10-16)8-12(15)14(13)19-7-6-17-4-2-3-5-17/h8-9H,2-7,10,16H2,1H3/p+2