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

Systemtic Name: 1-[3-methoxy-4-[(2S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]-3-methoxy-phenyl]ethanone Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5/c1-17(26)18-4-9-22(23(14-18)29-3)30-16-20(27)15-24-10-12-25(13-11-24)19-5-7-21(28-2)8-6-19/h4-9,14,20,27H,10-13,15-16H2,1-3H3/p+1/t20-/m0/s1