7-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-4-methyl-coumarin Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC3=C(C=C2)C(=CC(=O)O3)C)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC3=C(C=C2)C(=CC(=O)O3)C)O

InChI

InChI=1S/C19H26N2O4/c1-3-20-6-8-21(9-7-20)12-15(22)13-24-16-4-5-17-14(2)10-19(23)25-18(17)11-16/h4-5,10-11,15,22H,3,6-9,12-13H2,1-2H3/p+1/t15-/m0/s1