7-[[(3S)-piperidin-1-ium-3-yl]methoxy]chromen-2-one

Systemtic Name: 7-[[(3S)-piperidin-1-ium-3-yl]methoxy]chromen-2-one Openeye Name: 7-[[(3S)-piperidin-1-ium-3-yl]methoxy]chromen-2-one CAS Name: 7-[[(3S)-3-piperidin-1-iumyl]methoxy]-1-benzopyran-2-one IUPAC Name: 7-[[(3S)-piperidin-1-ium-3-yl]methoxy]chromen-2-one Traditional Name: 7-[[(3S)-piperidin-1-ium-3-yl]methoxy]coumarin Formula: C15H18NO3+ MolecularWeight: 260.30832

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)COC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)COC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C15H17NO3/c17-15-6-4-12-3-5-13(8-14(12)19-15)18-10-11-2-1-7-16-9-11/h3-6,8,11,16H,1-2,7,9-10H2/p+1/t11-/m0/s1