(3R,4R)-1-[(2-methylphenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-methylphenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(o-tolylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-hydroxy-1-piperidin-1-iumyl)-1-[(2-methylphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-[(2-methylphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-(2-methylbenzyl)piperidin-1-ium-3-ol Formula: C18H30N2O2+2 MolecularWeight: 306.443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(C(C2)O)[NH+]3CCC(CC3)O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCC(CC3)O

InChI

InChI=1S/C18H28N2O2/c1-14-4-2-3-5-15(14)12-19-9-8-17(18(22)13-19)20-10-6-16(21)7-11-20/h2-5,16-18,21-22H,6-13H2,1H3/p+2/t17-,18-/m1/s1