3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-6-methyl-chromen-4-one

Systemtic Name: 3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-6-methyl-chromen-4-one Openeye Name: 3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-6-methyl-chromen-4-one CAS Name: 3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-6-methylchromen-4-one Traditional Name: 3-[[(2S)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-6-methyl-chromone Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=CC(=C2)C)CC3=COC4=C(C3=O)C=C(C=C4)C

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)C)CC3=COC4=C(C3=O)C=C(C=C4)C

InChI

InChI=1S/C22H23NO3/c1-14-4-6-20-17(8-14)11-23(10-16(3)26-20)12-18-13-25-21-7-5-15(2)9-19(21)22(18)24/h4-9,13,16H,10-12H2,1-3H3/p+1/t16-/m0/s1