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

Systemtic Name: 1-[4-[(2S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2S)-3-(4-ethyl-1-piperazine-1,4-diiumyl)-2-hydroxypropoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2S)-3-(4-ethylpiperazine-1,4-diium-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C18H30N2O3+2 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-3-18(22)15-5-7-17(8-6-15)23-14-16(21)13-20-11-9-19(4-2)10-12-20/h5-8,16,21H,3-4,9-14H2,1-2H3/p+2/t16-/m0/s1