[(2R)-2-(3-methoxy-4-propan-2-yloxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-(3-methoxy-4-propan-2-yloxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-(4-isopropoxy-3-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(4-isopropoxy-3-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(C[NH3+])[NH+]2CCCCC2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)[C@H](C[NH3+])[NH+]2CCCCC2)OC

InChI

InChI=1S/C17H28N2O2/c1-13(2)21-16-8-7-14(11-17(16)20-3)15(12-18)19-9-5-4-6-10-19/h7-8,11,13,15H,4-6,9-10,12,18H2,1-3H3/p+2/t15-/m0/s1