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

Systemtic Name: (2S,3S)-2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-2-(4-bromophenyl)-3-phenyl-4-(1-piperidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-2-(4-bromophenyl)-3-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol Formula: C21H27BrNO+ MolecularWeight: 389.34918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO/c1-21(24,18-10-12-19(22)13-11-18)20(17-8-4-2-5-9-17)16-23-14-6-3-7-15-23/h2,4-5,8-13,20,24H,3,6-7,14-16H2,1H3/p+1/t20-,21-/m1/s1