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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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