[(1S)-1-(4-methoxy-2-oxidanyl-phenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(4-methoxy-2-oxidanyl-phenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(2-hydroxy-4-methoxy-phenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(2-hydroxy-4-methoxyphenyl)ethyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(2-hydroxy-4-methoxyphenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(2-hydroxy-4-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=C(C=C1)OC)O)[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-14(16-8-7-15(21-2)13-17(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-/m0/s1