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

Systemtic Name: 4-methyl-7-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-4-methylchromen-2-one Traditional Name: 3-benzyl-7-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-4-methyl-coumarin Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(C[NH+]3CCOCC3)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH+]3CCOCC3)O)CC4=CC=CC=C4

InChI

InChI=1S/C24H27NO5/c1-17-21-8-7-20(29-16-19(26)15-25-9-11-28-12-10-25)14-23(21)30-24(27)22(17)13-18-5-3-2-4-6-18/h2-8,14,19,26H,9-13,15-16H2,1H3/p+1/t19-/m0/s1