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

Systemtic Name: 2-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylazanium Openeye Name: 2-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylammonium CAS Name: 2-[4-methoxy-3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]ethylammonium IUPAC Name: 2-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylazanium Traditional Name: 2-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethylammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-19-15-6-5-14(7-8-17)13-16(15)20-12-11-18-9-3-2-4-10-18/h5-6,13H,2-4,7-12,17H2,1H3/p+2