4-methyl-7-(2-piperidin-1-ium-1-ylethoxy)chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCCCC3

InChI

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