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

Systemtic Name: 6-chloranyl-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[(3R)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(3R)-3-methylolpiperidin-1-ium-1-yl]methyl]coumarin Formula: C17H21ClNO3+ MolecularWeight: 322.80654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC(C3)CO)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC[C@H](C3)CO)Cl

InChI

InChI=1S/C17H20ClNO3/c1-11-5-16-14(7-15(11)18)13(6-17(21)22-16)9-19-4-2-3-12(8-19)10-20/h5-7,12,20H,2-4,8-10H2,1H3/p+1/t12-/m1/s1