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

Systemtic Name: 7-methoxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methoxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methoxy-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methoxy-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C17H21NO3/c1-12-4-3-7-18(10-12)11-13-8-17(19)21-16-9-14(20-2)5-6-15(13)16/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3/p+1/t12-/m0/s1