7,8-dimethyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7,8-dimethyl-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:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H]3C4=CC=CC=C4)C

InChI

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