(2S)-1-(4-methylpiperazin-4-ium-1-yl)-2-phenoxy-propan-1-one

Systemtic Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-2-phenoxy-propan-1-one Openeye Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-2-phenoxy-propan-1-one CAS Name: (2S)-1-(4-methyl-1-piperazin-4-iumyl)-2-phenoxy-1-propanone IUPAC Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-2-phenoxypropan-1-one Traditional Name: (2S)-1-(4-methylpiperazin-4-ium-1-yl)-2-phenoxy-propan-1-one Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-12(18-13-6-4-3-5-7-13)14(17)16-10-8-15(2)9-11-16/h3-7,12H,8-11H2,1-2H3/p+1/t12-/m0/s1