(2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: (2R)-1-(2-allylphenoxy)-3-(4-benzylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2R)-1-(2-allylphenoxy)-3-(4-benzylpiperazin-4-ium-1-yl)propan-2-ol Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

C=CCC1=CC=CC=C1OC[C@@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O2/c1-2-8-21-11-6-7-12-23(21)27-19-22(26)18-25-15-13-24(14-16-25)17-20-9-4-3-5-10-20/h2-7,9-12,22,26H,1,8,13-19H2/p+1/t22-/m1/s1