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

Systemtic Name: 3-[[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-6-methyl-chromen-4-one Openeye Name: 3-[[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-6-methyl-chromen-4-one CAS Name: 3-[[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 3-[[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-6-methylchromen-4-one Traditional Name: 3-[[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-6-methyl-chromone Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=COC4=C(C3=O)C=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4/c1-4-18-13-24(11-16-10-19(26-3)6-8-21(16)28-18)12-17-14-27-22-7-5-15(2)9-20(22)23(17)25/h5-10,14,18H,4,11-13H2,1-3H3/p+1/t18-/m0/s1