(3R,4R)-1-[(3,4-dimethylphenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(3,4-dimethylphenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(3,4-dimethylphenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(3,4-dimethylphenyl)methyl]-4-(4-hydroxy-1-piperidin-1-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(3,4-dimethylphenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(3,4-dimethylbenzyl)-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C19H32N2O2+2 MolecularWeight: 320.46958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCC(CC3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCC(CC3)O)C

InChI

InChI=1S/C19H30N2O2/c1-14-3-4-16(11-15(14)2)12-20-8-7-18(19(23)13-20)21-9-5-17(22)6-10-21/h3-4,11,17-19,22-23H,5-10,12-13H2,1-2H3/p+2/t18-,19-/m1/s1