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

Systemtic Name: 8-methyl-7-oxidanyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCCC3C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC[C@H]3C4=CC=CC=C4)O

InChI

InChI=1S/C21H21NO3/c1-14-19(23)10-9-17-16(12-20(24)25-21(14)17)13-22-11-5-8-18(22)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18,23H,5,8,11,13H2,1H3/p+1/t18-/m0/s1