[(2S)-butan-2-yl]-[[4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[[4-methyl-7-oxidanyl-2-oxidanylidene-3-(phenylmethyl)chromen-8-yl]methyl]azanium Openeye Name: (3-benzyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[[7-hydroxy-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-8-yl]methyl]ammonium IUPAC Name: (3-benzyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-[(2S)-butan-2-yl]azanium Traditional Name: (3-benzyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-[(1S)-1-methylpropyl]ammonium Formula: C22H26NO3+ MolecularWeight: 352.44674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=C(C=CC2=C1OC(=O)C(=C2C)CC3=CC=CC=C3)O

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=C(C=CC2=C1OC(=O)C(=C2C)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H25NO3/c1-4-14(2)23-13-19-20(24)11-10-17-15(3)18(22(25)26-21(17)19)12-16-8-6-5-7-9-16/h5-11,14,23-24H,4,12-13H2,1-3H3/p+1/t14-/m0/s1