(2S,3S)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-heptan-3-ol Formula: C24H33BrNO+ MolecularWeight: 431.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)Br)(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCC[C@@](C1=CC=C(C=C1)Br)([C@H](C[NH+]2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C24H32BrNO/c1-2-3-16-24(27,21-12-14-22(25)15-13-21)23(20-10-6-4-7-11-20)19-26-17-8-5-9-18-26/h4,6-7,10-15,23,27H,2-3,5,8-9,16-19H2,1H3/p+1/t23-,24-/m1/s1