(2S)-1-[2-(4-bromanylphenoxy)ethoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[2-(4-bromanylphenoxy)ethoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[2-(4-bromophenoxy)ethoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[2-(4-bromophenoxy)ethoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-(4-bromophenoxy)ethoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[2-(4-bromophenoxy)ethoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C16H25BrNO3+ MolecularWeight: 359.2786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COCCOC2=CC=C(C=C2)Br)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COCCOC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C16H24BrNO3/c17-14-4-6-16(7-5-14)21-11-10-20-13-15(19)12-18-8-2-1-3-9-18/h4-7,15,19H,1-3,8-13H2/p+1/t15-/m0/s1