4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(3R)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6,7-dimethylchromen-2-one Traditional Name: 6,7-dimethyl-4-[[(3R)-3-methylolpiperidin-1-ium-1-yl]methyl]coumarin Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCC(C3)CO)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H](C3)CO)C

InChI

InChI=1S/C18H23NO3/c1-12-6-16-15(8-18(21)22-17(16)7-13(12)2)10-19-5-3-4-14(9-19)11-20/h6-8,14,20H,3-5,9-11H2,1-2H3/p+1/t14-/m1/s1