[(2R)-2-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C14H23ClN2O2+2 MolecularWeight: 286.79762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C[NH3+])[NH+]2CCCCC2)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@H](C[NH3+])[NH+]2CCCCC2)Cl)O

InChI

InChI=1S/C14H21ClN2O2/c1-19-13-8-10(7-11(15)14(13)18)12(9-16)17-5-3-2-4-6-17/h7-8,12,18H,2-6,9,16H2,1H3/p+2/t12-/m0/s1