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

Systemtic Name: 6-chloranyl-7-methyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(2S)-2-phenylpyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C21H21ClNO2+ MolecularWeight: 354.84994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC3C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC[C@H]3C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClNO2/c1-14-10-20-17(12-18(14)22)16(11-21(24)25-20)13-23-9-5-8-19(23)15-6-3-2-4-7-15/h2-4,6-7,10-12,19H,5,8-9,13H2,1H3/p+1/t19-/m0/s1