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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-2-phenylbutyl]azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-[(2S)-2-phenylbutyl]ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-2-phenylbutyl]ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2S)-2-phenylbutyl]azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-[(2S)-2-phenylbutyl]ammonium Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[NH2+]CC1=CC(=O)OC2=C1C=CC(=C2C)O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C[NH2+]CC1=CC(=O)OC2=C1C=CC(=C2C)O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c1-3-15(16-7-5-4-6-8-16)12-22-13-17-11-20(24)25-21-14(2)19(23)10-9-18(17)21/h4-11,15,22-23H,3,12-13H2,1-2H3/p+1/t15-/m1/s1