[(2S,3R)-3-(4-bromophenyl)-6-methyl-3-oxidanyl-2-phenyl-heptyl]-(4-oxidanylbutyl)azanium

Systemtic Name: [(2S,3R)-3-(4-bromophenyl)-6-methyl-3-oxidanyl-2-phenyl-heptyl]-(4-oxidanylbutyl)azanium Openeye Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-6-methyl-2-phenyl-heptyl]-(4-hydroxybutyl)ammonium CAS Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-6-methyl-2-phenylheptyl]-(4-hydroxybutyl)ammonium IUPAC Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-6-methyl-2-phenylheptyl]-(4-hydroxybutyl)azanium Traditional Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-6-methyl-2-phenyl-heptyl]-(4-hydroxybutyl)ammonium Formula: C24H35BrNO2+ MolecularWeight: 449.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34BrNO2/c1-19(2)14-15-24(28,21-10-12-22(25)13-11-21)23(18-26-16-6-7-17-27)20-8-4-3-5-9-20/h3-5,8-13,19,23,26-28H,6-7,14-18H2,1-2H3/p+1/t23-,24+/m1/s1