7-ethyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C22H24NO2+ MolecularWeight: 334.43146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C22H23NO2/c1-2-16-10-11-19-18(14-22(24)25-21(19)13-16)15-23-12-6-9-20(23)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,20H,2,6,9,12,15H2,1H3/p+1/t20-/m0/s1