(2S)-4-[(3R)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]butan-2-ol

Systemtic Name: (2S)-4-[(3R)-3-(5-phenyl-2-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-ium-1-yl]butan-2-ol Openeye Name: (2S)-4-[(3R)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]butan-2-ol CAS Name: (2S)-4-[(3R)-3-(5-phenyl-2-pyridin-4-yl-4-pyrimidinyl)-1-piperidin-1-iumyl]-2-butanol IUPAC Name: (2S)-4-[(3R)-3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-ium-1-yl]butan-2-ol Traditional Name: (2S)-4-[(3R)-3-[5-phenyl-2-(4-pyridyl)pyrimidin-4-yl]piperidin-1-ium-1-yl]butan-2-ol Formula: C24H29N4O+ MolecularWeight: 389.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCCC(C1)C2=NC(=NC=C2C3=CC=CC=C3)C4=CC=NC=C4)O

Isomeric SMILES

C[C@@H](CC[NH+]1CCC[C@H](C1)C2=NC(=NC=C2C3=CC=CC=C3)C4=CC=NC=C4)O

InChI

InChI=1S/C24H28N4O/c1-18(29)11-15-28-14-5-8-21(17-28)23-22(19-6-3-2-4-7-19)16-26-24(27-23)20-9-12-25-13-10-20/h2-4,6-7,9-10,12-13,16,18,21,29H,5,8,11,14-15,17H2,1H3/p+1/t18-,21+/m0/s1