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

Systemtic Name: (3R,5R)-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3R,5R)-1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3R,5R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3R,5R)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3R,5R)-1-(4-benzoxy-3-methoxy-benzyl)-3,5-dimethyl-piperidin-1-ium Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C

InChI

InChI=1S/C22H29NO2/c1-17-11-18(2)14-23(13-17)15-20-9-10-21(22(12-20)24-3)25-16-19-7-5-4-6-8-19/h4-10,12,17-18H,11,13-16H2,1-3H3/p+1/t17-,18-/m1/s1