4-bromanyl-2-[(R)-[phenyl(piperidin-1-yl)phosphoryl]-piperidin-1-ium-1-yl-methyl]phenol

Systemtic Name: 4-bromanyl-2-[(R)-[phenyl(piperidin-1-yl)phosphoryl]-piperidin-1-ium-1-yl-methyl]phenol Openeye Name: 4-bromo-2-[(R)-[phenyl(1-piperidyl)phosphoryl]-piperidin-1-ium-1-yl-methyl]phenol CAS Name: 4-bromo-2-[(R)-[phenyl(1-piperidinyl)phosphoryl]-(1-piperidin-1-iumyl)methyl]phenol IUPAC Name: 4-bromo-2-[(R)-[phenyl(piperidin-1-yl)phosphoryl]-piperidin-1-ium-1-ylmethyl]phenol Traditional Name: 4-bromo-2-[(R)-[phenyl(piperidino)phosphoryl]-piperidin-1-ium-1-yl-methyl]phenol Formula: C23H31BrN2O2P+ MolecularWeight: 478.382201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=C(C=CC(=C2)Br)O)P(=O)(C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C2=C(C=CC(=C2)Br)O)[P@@](=O)(C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C23H30BrN2O2P/c24-19-12-13-22(27)21(18-19)23(25-14-6-2-7-15-25)29(28,20-10-4-1-5-11-20)26-16-8-3-9-17-26/h1,4-5,10-13,18,23,27H,2-3,6-9,14-17H2/p+1/t23-,29+/m1/s1