1-[[(R)-(4-bromophenyl)-piperidin-1-ium-1-yl-methyl]-phenyl-phosphoryl]piperidine

Systemtic Name: 1-[[(R)-(4-bromophenyl)-piperidin-1-ium-1-yl-methyl]-phenyl-phosphoryl]piperidine Openeye Name: 1-[[(R)-(4-bromophenyl)-piperidin-1-ium-1-yl-methyl]-phenyl-phosphoryl]piperidine CAS Name: 1-[[(R)-(4-bromophenyl)-(1-piperidin-1-iumyl)methyl]-phenylphosphoryl]piperidine IUPAC Name: 1-[[(R)-(4-bromophenyl)-piperidin-1-ium-1-ylmethyl]-phenylphosphoryl]piperidine Traditional Name: 1-[[(R)-(4-bromophenyl)-piperidin-1-ium-1-yl-methyl]-phenyl-phosphoryl]piperidine Formula: C23H31BrN2OP+ MolecularWeight: 462.382801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrN2OP/c24-21-14-12-20(13-15-21)23(25-16-6-2-7-17-25)28(27,22-10-4-1-5-11-22)26-18-8-3-9-19-26/h1,4-5,10-15,23H,2-3,6-9,16-19H2/p+1/t23-,28+/m1/s1