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

Systemtic Name: 2-[3-chloranyl-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylazanium Openeye Name: 2-[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylammonium CAS Name: 2-[3-chloro-5-methoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]ethylammonium IUPAC Name: 2-[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylazanium Traditional Name: 2-[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylammonium Formula: C16H27ClN2O2+2 MolecularWeight: 314.85078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC[NH3+])Cl)OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)CC[NH3+])Cl)OCC[NH+]2CCCCC2

InChI

InChI=1S/C16H25ClN2O2/c1-20-15-12-13(5-6-18)11-14(17)16(15)21-10-9-19-7-3-2-4-8-19/h11-12H,2-10,18H2,1H3/p+2