(2R)-2-(3-chloranylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: (2R)-2-(3-chloranylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: (2R)-1-(4-allylpiperazin-4-ium-1-yl)-2-(3-chlorophenoxy)butan-1-one CAS Name: (2R)-2-(3-chlorophenoxy)-1-(4-prop-2-enyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: (2R)-2-(3-chlorophenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: (2R)-1-(4-allylpiperazin-4-ium-1-yl)-2-(3-chlorophenoxy)butan-1-one Formula: C17H24ClN2O2+ MolecularWeight: 323.83766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH+](CC1)CC=C)OC2=CC(=CC=C2)Cl

Isomeric SMILES

CC[C@H](C(=O)N1CC[NH+](CC1)CC=C)OC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H23ClN2O2/c1-3-8-19-9-11-20(12-10-19)17(21)16(4-2)22-15-7-5-6-14(18)13-15/h3,5-7,13,16H,1,4,8-12H2,2H3/p+1/t16-/m1/s1