(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [(2S)-2-hydroxy-2-phenyl-ethyl]-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(2S)-2-hydroxy-2-phenylethyl]-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-2-phenylethyl]-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium Traditional Name: [(2S)-2-hydroxy-2-phenyl-ethyl]-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]ammonium Formula: C22H26NO3+ MolecularWeight: 352.44674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC(C3=CC=CC=C3)O)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C[C@H](C3=CC=CC=C3)O)C(C)C

InChI

InChI=1S/C22H25NO3/c1-14(2)18-11-19-17(10-22(25)26-21(19)9-15(18)3)12-23-13-20(24)16-7-5-4-6-8-16/h4-11,14,20,23-24H,12-13H2,1-3H3/p+1/t20-/m1/s1