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

Systemtic Name: 4-methyl-7-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]chromen-2-one Openeye Name: 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-1-benzopyran-2-one IUPAC Name: 7-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-4-methyl-coumarin Formula: C17H22NO5+ MolecularWeight: 320.36028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-12-8-17(20)23-16-9-14(2-3-15(12)16)22-11-13(19)10-18-4-6-21-7-5-18/h2-3,8-9,13,19H,4-7,10-11H2,1H3/p+1/t13-/m0/s1