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

Systemtic Name: 6-methyl-3-[[7-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]chromen-4-one Openeye Name: 6-methyl-3-[[7-(morpholinomethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]chromen-4-one CAS Name: 6-methyl-3-[[7-(4-morpholinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]-1-benzopyran-4-one IUPAC Name: 6-methyl-3-[[7-(morpholin-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]chromen-4-one Traditional Name: 6-methyl-3-[[7-(morpholinomethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]chromone Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCOC4=C(C3)C=C(C=C4)CN5CCOCC5

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCOC4=C(C3)C=C(C=C4)CN5CCOCC5

InChI

InChI=1S/C25H28N2O4/c1-18-2-4-24-22(12-18)25(28)21(17-31-24)16-27-8-11-30-23-5-3-19(13-20(23)15-27)14-26-6-9-29-10-7-26/h2-5,12-13,17H,6-11,14-16H2,1H3/p+1