7-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

InChI=1S/C20H27NO2/c1-13(2)17-10-18-16(12-21-7-5-6-14(3)11-21)9-20(22)23-19(18)8-15(17)4/h8-10,13-14H,5-7,11-12H2,1-4H3/p+1/t14-/m0/s1