(2S,3S)-3-(4-bromophenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-5-methyl-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C23H31BrNO+ MolecularWeight: 417.40234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrNO/c1-18(2)16-23(26,20-10-12-21(24)13-11-20)22(17-25-14-6-7-15-25)19-8-4-3-5-9-19/h3-5,8-13,18,22,26H,6-7,14-17H2,1-2H3/p+1/t22-,23-/m1/s1