(2S,3S)-3-(4-bromophenyl)-4-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-4-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-4-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-4-methyl-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-4-methyl-2-phenyl-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-4-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C22H29BrNO+ MolecularWeight: 403.37576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Br)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)[C@@](C1=CC=C(C=C1)Br)([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H28BrNO/c1-17(2)22(25,19-10-12-20(23)13-11-19)21(16-24-14-6-7-15-24)18-8-4-3-5-9-18/h3-5,8-13,17,21,25H,6-7,14-16H2,1-2H3/p+1/t21-,22-/m1/s1