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

Systemtic Name: 6-chloranyl-3-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 6-chloro-3-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 6-chloro-3-[[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-3-[[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 6-chloro-3-[[(3S)-3-methylolpiperidin-1-ium-1-yl]methyl]chromone Formula: C16H19ClNO3+ MolecularWeight: 308.77996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC3=C(C2=O)C=C(C=C3)Cl)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC3=C(C2=O)C=C(C=C3)Cl)CO

InChI

InChI=1S/C16H18ClNO3/c17-13-3-4-15-14(6-13)16(20)12(10-21-15)8-18-5-1-2-11(7-18)9-19/h3-4,6,10-11,19H,1-2,5,7-9H2/p+1/t11-/m0/s1