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

Systemtic Name: [(2R)-2-(3-ethoxy-4-oxidanyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-ethoxy-4-hydroxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(3-ethoxy-4-hydroxy-phenyl)-2-[(2S)-2-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+]2CCCCC2C)O

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-3-20-16-10-13(7-8-15(16)19)14(11-17)18-9-5-4-6-12(18)2/h7-8,10,12,14,19H,3-6,9,11,17H2,1-2H3/p+2/t12-,14-/m0/s1