[(2S,3R)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-pentyl]-(4-oxidanylbutyl)azanium

Systemtic Name: [(2S,3R)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-pentyl]-(4-oxidanylbutyl)azanium Openeye Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-pentyl]-(4-hydroxybutyl)ammonium CAS Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylpentyl]-(4-hydroxybutyl)ammonium IUPAC Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylpentyl]-(4-hydroxybutyl)azanium Traditional Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-pentyl]-(4-hydroxybutyl)ammonium Formula: C21H29BrNO2+ MolecularWeight: 407.36446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)(C(C[NH2+]CCCCO)C2=CC=CC=C2)O

Isomeric SMILES

CC[C@](C1=CC=C(C=C1)Br)([C@H](C[NH2+]CCCCO)C2=CC=CC=C2)O

InChI

InChI=1S/C21H28BrNO2/c1-2-21(25,18-10-12-19(22)13-11-18)20(16-23-14-6-7-15-24)17-8-4-3-5-9-17/h3-5,8-13,20,23-25H,2,6-7,14-16H2,1H3/p+1/t20-,21+/m1/s1