(2S,3S)-3-(4-bromophenyl)-6-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-6-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-6-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-6-methyl-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-6-methyl-2-phenyl-1-pyrrolidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-6-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Formula: C24H33BrNO+ MolecularWeight: 431.42892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32BrNO/c1-19(2)14-15-24(27,21-10-12-22(25)13-11-21)23(18-26-16-6-7-17-26)20-8-4-3-5-9-20/h3-5,8-13,19,23,27H,6-7,14-18H2,1-2H3/p+1/t23-,24-/m1/s1