7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

InChI=1S/C20H27NO2/c1-13(2)17-11-18-16(12-21-8-6-5-7-15(21)4)10-20(22)23-19(18)9-14(17)3/h9-11,13,15H,5-8,12H2,1-4H3/p+1/t15-/m0/s1