(2R)-1-(4-methyl-2-prop-2-enyl-phenoxy)-3-piperazin-4-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-(4-methyl-2-prop-2-enyl-phenoxy)-3-piperazin-4-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-(2-allyl-4-methyl-phenoxy)-3-piperazin-4-ium-1-yl-propan-2-ol CAS Name: (2R)-1-(4-methyl-2-prop-2-enylphenoxy)-3-(1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-(4-methyl-2-prop-2-enylphenoxy)-3-piperazin-4-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-(2-allyl-4-methyl-phenoxy)-3-piperazin-4-ium-1-yl-propan-2-ol Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN2CC[NH2+]CC2)O)CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@@H](CN2CC[NH2+]CC2)O)CC=C

InChI

InChI=1S/C17H26N2O2/c1-3-4-15-11-14(2)5-6-17(15)21-13-16(20)12-19-9-7-18-8-10-19/h3,5-6,11,16,18,20H,1,4,7-10,12-13H2,2H3/p+1/t16-/m1/s1