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

Systemtic Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C22H29BrNO+ MolecularWeight: 403.37576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrNO/c1-2-22(25,19-11-13-20(23)14-12-19)21(18-9-5-3-6-10-18)17-24-15-7-4-8-16-24/h3,5-6,9-14,21,25H,2,4,7-8,15-17H2,1H3/p+1/t21-,22-/m1/s1