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

Systemtic Name: (2S)-2-(4-chloranylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: (2S)-1-(4-allylpiperazin-4-ium-1-yl)-2-(4-chlorophenoxy)butan-1-one CAS Name: (2S)-2-(4-chlorophenoxy)-1-(4-prop-2-enyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: (2S)-2-(4-chlorophenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: (2S)-1-(4-allylpiperazin-4-ium-1-yl)-2-(4-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=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O2/c1-3-9-19-10-12-20(13-11-19)17(21)16(4-2)22-15-7-5-14(18)6-8-15/h3,5-8,16H,1,4,9-13H2,2H3/p+1/t16-/m0/s1