7-[(2R)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[(2R)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2R)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2R)-3-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2R)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2R)-2-hydroxy-3-(4-o-phenetylpiperazin-1-ium-1-yl)propoxy]-4-methyl-coumarin Formula: C25H31N2O5+ MolecularWeight: 439.52404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(COC3=CC4=C(C=C3)C(=CC(=O)O4)C)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)C[C@H](COC3=CC4=C(C=C3)C(=CC(=O)O4)C)O

InChI

InChI=1S/C25H30N2O5/c1-3-30-23-7-5-4-6-22(23)27-12-10-26(11-13-27)16-19(28)17-31-20-8-9-21-18(2)14-25(29)32-24(21)15-20/h4-9,14-15,19,28H,3,10-13,16-17H2,1-2H3/p+1/t19-/m1/s1