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

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C21H27BrNO+ MolecularWeight: 389.34918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO/c1-2-21(24,18-10-12-19(22)13-11-18)20(16-23-14-6-7-15-23)17-8-4-3-5-9-17/h3-5,8-13,20,24H,2,6-7,14-16H2,1H3/p+1/t20-,21-/m1/s1