(2S,3R)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hex-5-en-3-ol

Systemtic Name: (2S,3R)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hex-5-en-3-ol Openeye Name: (2S,3R)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hex-5-en-3-ol CAS Name: (2S,3R)-3-(4-bromophenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-5-hexen-3-ol IUPAC Name: (2S,3R)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-ylhex-5-en-3-ol Traditional Name: (2S,3R)-3-(4-bromophenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hex-5-en-3-ol Formula: C23H29BrNO+ MolecularWeight: 415.38646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO/c1-2-15-23(26,20-11-13-21(24)14-12-20)22(19-9-5-3-6-10-19)18-25-16-7-4-8-17-25/h2-3,5-6,9-14,22,26H,1,4,7-8,15-18H2/p+1/t22-,23+/m1/s1