[(2R)-2-(3-ethoxy-4-oxidanyl-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(3-ethoxy-4-oxidanyl-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C[NH3+])[NH+]2CCCC(C2)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C[NH3+])[NH+]2CCC[C@H](C2)C)O

InChI

InChI=1S/C16H26N2O2/c1-3-20-16-9-13(6-7-15(16)19)14(10-17)18-8-4-5-12(2)11-18/h6-7,9,12,14,19H,3-5,8,10-11,17H2,1-2H3/p+2/t12-,14+/m1/s1