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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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