(2S)-2-(4-chloranyl-3-methyl-phenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-(4-chloranyl-3-methyl-phenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-1-(4-allylpiperazin-4-ium-1-yl)-2-(4-chloro-3-methyl-phenoxy)propan-1-one CAS Name: (2S)-2-(4-chloro-3-methylphenoxy)-1-(4-prop-2-enyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(4-chloro-3-methylphenoxy)-1-(4-prop-2-enylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-1-(4-allylpiperazin-4-ium-1-yl)-2-(4-chloro-3-methyl-phenoxy)propan-1-one Formula: C17H24ClN2O2+ MolecularWeight: 323.83766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O2/c1-4-7-19-8-10-20(11-9-19)17(21)14(3)22-15-5-6-16(18)13(2)12-15/h4-6,12,14H,1,7-11H2,2-3H3/p+1/t14-/m0/s1