(2R,3R)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-pentan-3-ol

Systemtic Name: (2R,3R)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-pentan-3-ol Openeye Name: (2R,3R)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-pentan-3-ol CAS Name: (2R,3R)-1-(1-azepan-1-iumyl)-3-(4-bromophenyl)-2-phenyl-3-pentanol IUPAC Name: (2R,3R)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenylpentan-3-ol Traditional Name: (2R,3R)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-pentan-3-ol Formula: C23H31BrNO+ MolecularWeight: 417.40234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)(C(C[NH+]2CCCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CC[C@](C1=CC=C(C=C1)Br)([C@@H](C[NH+]2CCCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H30BrNO/c1-2-23(26,20-12-14-21(24)15-13-20)22(19-10-6-5-7-11-19)18-25-16-8-3-4-9-17-25/h5-7,10-15,22,26H,2-4,8-9,16-18H2,1H3/p+1/t22-,23-/m0/s1