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

Systemtic Name: 4-methyl-7-[(2R)-2-oxidanyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propoxy]chromen-2-one Openeye Name: 7-[(2R)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2R)-2-hydroxy-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propoxy]-4-methylchromen-2-one Traditional Name: 7-[(2R)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazino)propoxy]-4-methyl-coumarin Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCN(CC3)C4=CC=CC=[NH+]4)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@@H](CN3CCN(CC3)C4=CC=CC=[NH+]4)O

InChI

InChI=1S/C22H25N3O4/c1-16-12-22(27)29-20-13-18(5-6-19(16)20)28-15-17(26)14-24-8-10-25(11-9-24)21-4-2-3-7-23-21/h2-7,12-13,17,26H,8-11,14-15H2,1H3/p+1/t17-/m1/s1