1-[4-[(2S)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[(2S)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2S)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2S)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2S)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2S)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O3/c1-2-23(27)20-8-10-22(11-9-20)28-18-21(26)17-25-14-12-24(13-15-25)16-19-6-4-3-5-7-19/h3-11,21,26H,2,12-18H2,1H3/p+1/t21-/m0/s1