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

Systemtic Name: 4-methyl-7-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]chromen-2-one Openeye Name: 7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methyl-coumarin Formula: C18H24NO4+ MolecularWeight: 318.38746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C18H23NO4/c1-13-9-18(21)23-17-10-15(5-6-16(13)17)22-12-14(20)11-19-7-3-2-4-8-19/h5-6,9-10,14,20H,2-4,7-8,11-12H2,1H3/p+1/t14-/m0/s1