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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C(C[NH3+])C2=CC(=C(C=C2)OC)O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1[C@@H](C[NH3+])C2=CC(=C(C=C2)OC)O

InChI

InChI=1S/C16H26N2O2/c1-3-13-6-4-5-9-18(13)14(11-17)12-7-8-16(20-2)15(19)10-12/h7-8,10,13-14,19H,3-6,9,11,17H2,1-2H3/p+2/t13-,14-/m0/s1