2-[(6S,7S,8S)-7-methyl-6-morpholin-4-ium-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol

Systemtic Name: 2-[(6S,7S,8S)-7-methyl-6-morpholin-4-ium-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol Openeye Name: 2-[(6S,7S,8S)-7-methyl-6-morpholin-4-ium-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol CAS Name: 2-[(6S,7S,8S)-7-methyl-6-(4-morpholin-4-iumyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl]phenol IUPAC Name: 2-[(6S,7S,8S)-7-methyl-6-morpholin-4-ium-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol Traditional Name: 2-[(6S,7S,8S)-7-methyl-6-morpholin-4-ium-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol Formula: C21H24NO5+ MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC3=C(C=C2OC1[NH+]4CCOCC4)OCO3)C5=CC=CC=C5O

Isomeric SMILES

C[C@H]1[C@H](C2=CC3=C(C=C2O[C@@H]1[NH+]4CCOCC4)OCO3)C5=CC=CC=C5O

InChI

InChI=1S/C21H23NO5/c1-13-20(14-4-2-3-5-16(14)23)15-10-18-19(26-12-25-18)11-17(15)27-21(13)22-6-8-24-9-7-22/h2-5,10-11,13,20-21,23H,6-9,12H2,1H3/p+1/t13-,20-,21-/m0/s1