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

Systemtic Name: 1-[4-[(2S)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2S)-2-hydroxy-3-(4-methyl-1-piperazine-1,4-diiumyl)propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]propan-1-one Formula: C17H28N2O3+2 MolecularWeight: 308.41582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-3-17(21)14-4-6-16(7-5-14)22-13-15(20)12-19-10-8-18(2)9-11-19/h4-7,15,20H,3,8-13H2,1-2H3/p+2/t15-/m0/s1