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

Systemtic Name: 4-methyl-7-[(2S)-2-oxidanyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]chromen-2-one Openeye Name: 7-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]-4-methyl-coumarin Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(C[NH+]3CCC4=CC=CC=C4C3)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH+]3CCC4=CC=CC=C4C3)O

InChI

InChI=1S/C22H23NO4/c1-15-10-22(25)27-21-11-19(6-7-20(15)21)26-14-18(24)13-23-9-8-16-4-2-3-5-17(16)12-23/h2-7,10-11,18,24H,8-9,12-14H2,1H3/p+1/t18-/m0/s1