7-methyl-4-[2-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[2-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]chromen-2-one Openeye Name: 7-methyl-4-[2-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]chromen-2-one CAS Name: 7-methyl-4-[2-[7-(4-morpholin-4-iumylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[2-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]chromen-2-one Traditional Name: 4-[2-keto-2-[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-7-methyl-coumarin Formula: C26H29N2O5+ MolecularWeight: 449.51886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCOC4=C(C3)C=C(C=C4)C[NH+]5CCOCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N3CCOC4=C(C3)C=C(C=C4)C[NH+]5CCOCC5

InChI

InChI=1S/C26H28N2O5/c1-18-2-4-22-20(15-26(30)33-24(22)12-18)14-25(29)28-8-11-32-23-5-3-19(13-21(23)17-28)16-27-6-9-31-10-7-27/h2-5,12-13,15H,6-11,14,16-17H2,1H3/p+1