(3R,5R)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium

Systemtic Name: (3R,5R)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3R,5R)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3R,5R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3R,5R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3R,5R)-1-(4-methoxy-2,5-dimethyl-benzyl)-3,5-dimethyl-piperidin-1-ium Formula: C17H28NO+ MolecularWeight: 262.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=C(C=C2C)OC)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=C(C=C2C)OC)C)C

InChI

InChI=1S/C17H27NO/c1-12-6-13(2)10-18(9-12)11-16-7-15(4)17(19-5)8-14(16)3/h7-8,12-13H,6,9-11H2,1-5H3/p+1/t12-,13-/m1/s1