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

Systemtic Name: 4-methyl-7-[(2S)-3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propoxy]chromen-2-one Openeye Name: 7-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-2-hydroxy-3-(4-methyl-1-piperidin-1-iumyl)propoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propoxy]-4-methyl-coumarin Formula: C19H26NO4+ MolecularWeight: 332.41404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)C(=CC(=O)O3)C)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](COC2=CC3=C(C=C2)C(=CC(=O)O3)C)O

InChI

InChI=1S/C19H25NO4/c1-13-5-7-20(8-6-13)11-15(21)12-23-16-3-4-17-14(2)9-19(22)24-18(17)10-16/h3-4,9-10,13,15,21H,5-8,11-12H2,1-2H3/p+1/t15-/m0/s1