(2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-nonan-3-ol

Systemtic Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-nonan-3-ol Openeye Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-nonan-3-ol CAS Name: (2S,3S)-1-(1-azepan-1-iumyl)-3-(4-bromophenyl)-2-phenyl-3-nonanol IUPAC Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenylnonan-3-ol Traditional Name: (2S,3S)-1-(azepan-1-ium-1-yl)-3-(4-bromophenyl)-2-phenyl-nonan-3-ol Formula: C27H39BrNO+ MolecularWeight: 473.50866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38BrNO/c1-2-3-4-10-19-27(30,24-15-17-25(28)18-16-24)26(23-13-8-7-9-14-23)22-29-20-11-5-6-12-21-29/h7-9,13-18,26,30H,2-6,10-12,19-22H2,1H3/p+1/t26-,27-/m1/s1