(2R)-2-(2,3-dimethylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2R)-2-(2,3-dimethylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2R)-1-(4-allylpiperazin-4-ium-1-yl)-2-(2,3-dimethylphenoxy)propan-1-one CAS Name: (2R)-2-(2,3-dimethylphenoxy)-1-(4-prop-2-enyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2R)-2-(2,3-dimethylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2R)-1-(4-allylpiperazin-4-ium-1-yl)-2-(2,3-dimethylphenoxy)propan-1-one Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(C)C(=O)N2CC[NH+](CC2)CC=C)C

Isomeric SMILES

CC1=C(C(=CC=C1)O[C@H](C)C(=O)N2CC[NH+](CC2)CC=C)C

InChI

InChI=1S/C18H26N2O2/c1-5-9-19-10-12-20(13-11-19)18(21)16(4)22-17-8-6-7-14(2)15(17)3/h5-8,16H,1,9-13H2,2-4H3/p+1/t16-/m1/s1