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

Systemtic Name: 1-[4-[(2S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]propan-1-one Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3OC)O

InChI

InChI=1S/C23H30N2O4/c1-3-22(27)18-8-10-20(11-9-18)29-17-19(26)16-24-12-14-25(15-13-24)21-6-4-5-7-23(21)28-2/h4-11,19,26H,3,12-17H2,1-2H3/p+1/t19-/m0/s1