4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-8-methyl-chromen-2-one CAS Name: 7-hydroxy-4-[[(3R)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-8-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-8-methylchromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(3R)-3-methylolpiperidin-1-ium-1-yl]methyl]coumarin Formula: C17H22NO4+ MolecularWeight: 304.36088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCCC(C3)CO)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC[C@H](C3)CO)O

InChI

InChI=1S/C17H21NO4/c1-11-15(20)5-4-14-13(7-16(21)22-17(11)14)9-18-6-2-3-12(8-18)10-19/h4-5,7,12,19-20H,2-3,6,8-10H2,1H3/p+1/t12-/m1/s1