[(1S)-1-(4-methoxy-2-oxidanyl-phenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(1S)-1-(4-methoxy-2-oxidanyl-phenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1S)-1-(2-hydroxy-4-methoxy-phenyl)ethyl]-(1-isopropylpiperidin-1-ium-4-yl)ammonium CAS Name: [(1S)-1-(2-hydroxy-4-methoxyphenyl)ethyl]-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1S)-1-(2-hydroxy-4-methoxyphenyl)ethyl]-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1S)-1-(2-hydroxy-4-methoxy-phenyl)ethyl]-(1-isopropylpiperidin-1-ium-4-yl)ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]C(C)C2=C(C=C(C=C2)OC)O

Isomeric SMILES

C[C@@H](C1=C(C=C(C=C1)OC)O)[NH2+]C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C17H28N2O2/c1-12(2)19-9-7-14(8-10-19)18-13(3)16-6-5-15(21-4)11-17(16)20/h5-6,11-14,18,20H,7-10H2,1-4H3/p+2/t13-/m0/s1