7-methyl-4-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-ium-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[(2S)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[(2S)-2-(3-methyl-5-isoxazolyl)-1-pyrrolidin-1-iumyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-ium-1-yl]methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[(2S)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-ium-1-yl]methyl]coumarin Formula: C22H27N2O3+ MolecularWeight: 367.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC3C4=CC(=NO4)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC[C@H]3C4=CC(=NO4)C)C(C)C

InChI

InChI=1S/C22H26N2O3/c1-13(2)17-11-18-16(10-22(25)26-20(18)8-14(17)3)12-24-7-5-6-19(24)21-9-15(4)23-27-21/h8-11,13,19H,5-7,12H2,1-4H3/p+1/t19-/m0/s1