[(2S,3S)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-pentyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-pentyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-pentyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenylpentyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenylpentyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-pentyl]-methyl-ammonium Formula: C25H29BrNO+ MolecularWeight: 439.40786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)(C(C[NH+](C)CC2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC[C@@](C1=CC=C(C=C1)Br)([C@H](C[NH+](C)CC2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H28BrNO/c1-3-25(28,22-14-16-23(26)17-15-22)24(21-12-8-5-9-13-21)19-27(2)18-20-10-6-4-7-11-20/h4-17,24,28H,3,18-19H2,1-2H3/p+1/t24-,25-/m1/s1