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

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-pyrrolidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Formula: C23H31BrNO+ MolecularWeight: 417.40234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrNO/c1-2-3-15-23(26,20-11-13-21(24)14-12-20)22(18-25-16-7-8-17-25)19-9-5-4-6-10-19/h4-6,9-14,22,26H,2-3,7-8,15-18H2,1H3/p+1/t22-,23-/m1/s1