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

Systemtic Name: (2S,3S,5S,6R)-2,6-bis(4-hydroxyphenyl)-3,5-dimethyl-piperidin-1-ium-4-one Openeye Name: (2S,3S,5S,6R)-2,6-bis(4-hydroxyphenyl)-3,5-dimethyl-piperidin-1-ium-4-one CAS Name: (2S,3S,5S,6R)-2,6-bis(4-hydroxyphenyl)-3,5-dimethyl-4-piperidin-1-iumone IUPAC Name: (2S,3S,5S,6R)-2,6-bis(4-hydroxyphenyl)-3,5-dimethylpiperidin-1-ium-4-one Traditional Name: (2S,3S,5S,6R)-2,6-bis(4-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=C(C=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3/c1-11-17(13-3-7-15(21)8-4-13)20-18(12(2)19(11)23)14-5-9-16(22)10-6-14/h3-12,17-18,20-22H,1-2H3/p+1/t11-,12-,17-,18+/m0/s1