1-[4-[(2S)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-(4-methyl-1-piperazine-1,4-diiumyl)propoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]ethanone Formula: C16H26N2O3+2 MolecularWeight: 294.38924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CC[NH+](CC2)C)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+]2CC[NH+](CC2)C)O

InChI

InChI=1S/C16H24N2O3/c1-13(19)14-3-5-16(6-4-14)21-12-15(20)11-18-9-7-17(2)8-10-18/h3-6,15,20H,7-12H2,1-2H3/p+2/t15-/m0/s1