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

Systemtic Name: [(1R)-1-(5-methoxy-2-oxidanyl-phenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1R)-1-(2-hydroxy-5-methoxy-phenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1R)-1-(2-hydroxy-5-methoxyphenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1R)-1-(2-hydroxy-5-methoxy-phenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)O)[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

C[C@H](C1=C(C=CC(=C1)OC)O)[NH2+]CCC[NH+]2CCCCC2

InChI

InChI=1S/C17H28N2O2/c1-14(16-13-15(21-2)7-8-17(16)20)18-9-6-12-19-10-4-3-5-11-19/h7-8,13-14,18,20H,3-6,9-12H2,1-2H3/p+2/t14-/m1/s1