(2R,3R,5S,6R)-2,6-bis(2-hydroxyphenyl)-3,5-dimethyl-piperidin-1-ium-4-one

Systemtic Name: (2R,3R,5S,6R)-2,6-bis(2-hydroxyphenyl)-3,5-dimethyl-piperidin-1-ium-4-one Openeye Name: (2R,3R,5S,6R)-2,6-bis(2-hydroxyphenyl)-3,5-dimethyl-piperidin-1-ium-4-one CAS Name: (2R,3R,5S,6R)-2,6-bis(2-hydroxyphenyl)-3,5-dimethyl-4-piperidin-1-iumone IUPAC Name: (2R,3R,5S,6R)-2,6-bis(2-hydroxyphenyl)-3,5-dimethylpiperidin-1-ium-4-one Traditional Name: (2R,3R,5S,6R)-2,6-bis(2-hydroxyphenyl)-3,5-dimethyl-piperidin-1-ium-4-one Formula: C19H22NO3+ MolecularWeight: 312.38288

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH2+]C(C(C1=O)C)C2=CC=CC=C2O)C3=CC=CC=C3O

Isomeric SMILES

C[C@@H]1[C@@H]([NH2+][C@H]([C@@H](C1=O)C)C2=CC=CC=C2O)C3=CC=CC=C3O

InChI

InChI=1S/C19H21NO3/c1-11-17(13-7-3-5-9-15(13)21)20-18(12(2)19(11)23)14-8-4-6-10-16(14)22/h3-12,17-18,20-22H,1-2H3/p+1/t11-,12+,17-,18-/m1/s1