[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylazanium

Systemtic Name: [3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylazanium Openeye Name: [3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylammonium CAS Name: [3-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methylammonium IUPAC Name: [3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylazanium Traditional Name: [3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzyl]ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH3+])OCC[NH+]2CCCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH3+])OCC[NH+]2CCCCC2

InChI

InChI=1S/C16H26N2O2/c1-2-19-16-12-14(13-17)6-7-15(16)20-11-10-18-8-4-3-5-9-18/h6-7,12H,2-5,8-11,13,17H2,1H3/p+2