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

Systemtic Name: 7-methyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C21H22NO2+ MolecularWeight: 320.40488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C21H21NO2/c1-15-9-10-18-17(13-21(23)24-20(18)12-15)14-22-11-5-8-19(22)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,19H,5,8,11,14H2,1H3/p+1/t19-/m0/s1