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

Systemtic Name: 1-[3-methoxy-4-[(2S)-2-oxidanyl-3-(4-propylpiperazin-4-ium-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-(4-propylpiperazin-4-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-(4-propyl-1-piperazin-4-iumyl)propoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-(4-propylpiperazin-4-ium-1-yl)propoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-(4-propylpiperazin-4-ium-1-yl)propoxy]-3-methoxy-phenyl]ethanone Formula: C19H31N2O4+ MolecularWeight: 351.46044

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)C(=O)C)OC)O

Isomeric SMILES

CCC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C(=O)C)OC)O

InChI

InChI=1S/C19H30N2O4/c1-4-7-20-8-10-21(11-9-20)13-17(23)14-25-18-6-5-16(15(2)22)12-19(18)24-3/h5-6,12,17,23H,4,7-11,13-14H2,1-3H3/p+1/t17-/m0/s1