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

Systemtic Name: 2-[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylazanium Openeye Name: 2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylammonium CAS Name: 2-[3-chloro-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]ethylammonium IUPAC Name: 2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylazanium Traditional Name: 2-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylammonium Formula: C15H25ClN2O2+2 MolecularWeight: 300.8242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23ClN2O2/c1-19-14-11-12(4-5-17)10-13(16)15(14)20-9-8-18-6-2-3-7-18/h10-11H,2-9,17H2,1H3/p+2