1-[2-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[2-[(2S)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[2-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]ethanone CAS Name: 1-[2-[(2S)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]phenyl]ethanone IUPAC Name: 1-[2-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[2-[(2S)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]ethanone Formula: C16H25N2O3+ MolecularWeight: 293.3813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCC(CN2CC[NH+](CC2)C)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1OC[C@H](CN2CC[NH+](CC2)C)O

InChI

InChI=1S/C16H24N2O3/c1-13(19)15-5-3-4-6-16(15)21-12-14(20)11-18-9-7-17(2)8-10-18/h3-6,14,20H,7-12H2,1-2H3/p+1/t14-/m0/s1