2-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]ethylazanium

Systemtic Name: 2-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]ethylazanium Openeye Name: 2-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]ethylammonium CAS Name: 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]ethylammonium IUPAC Name: 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]ethylazanium Traditional Name: 2-[1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-yl]ethylammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CC[NH3+])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CC[NH3+])O

InChI

InChI=1S/C16H26N2O2/c1-2-20-16-11-14(3-4-15(16)19)12-18-9-6-13(5-8-17)7-10-18/h3-4,11,13,19H,2,5-10,12,17H2,1H3/p+2