4-(1-benzofuran-2-ylmethyl)-7-(morpholin-4-ium-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-(1-benzofuran-2-ylmethyl)-7-(morpholin-4-ium-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-(benzofuran-2-ylmethyl)-7-(morpholin-4-ium-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(2-benzofuranylmethyl)-7-(4-morpholin-4-iumylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(1-benzofuran-2-ylmethyl)-7-(morpholin-4-ium-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(benzofuran-2-ylmethyl)-7-(morpholin-4-ium-4-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H28N2O3+2 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC3=C(C=C2)OCC[NH+](C3)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1COCC[NH+]1CC2=CC3=C(C=C2)OCC[NH+](C3)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H26N2O3/c1-2-4-23-19(3-1)14-21(28-23)17-25-9-12-27-22-6-5-18(13-20(22)16-25)15-24-7-10-26-11-8-24/h1-6,13-14H,7-12,15-17H2/p+2