(2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-6-methyl-2-phenyl-heptan-3-ol

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-6-methyl-2-phenyl-heptan-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-6-methyl-2-phenyl-heptan-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-3-(4-bromophenyl)-6-methyl-2-phenyl-3-heptanol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-6-methyl-2-phenylheptan-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-6-methyl-2-phenyl-heptan-3-ol Formula: C26H37BrNO+ MolecularWeight: 459.48208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36BrNO/c1-21(2)16-17-26(29,23-12-14-24(27)15-13-23)25(22-10-6-5-7-11-22)20-28-18-8-3-4-9-19-28/h5-7,10-15,21,25,29H,3-4,8-9,16-20H2,1-2H3/p+1/t25-,26-/m1/s1