1-[[4-(1-benzofuran-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[[4-(1-benzofuran-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 1-[[4-(benzofuran-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperidin-1-ium-4-ol CAS Name: 1-[[4-(2-benzofuranylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]-4-piperidin-1-iumol IUPAC Name: 1-[[4-(1-benzofuran-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 1-[[4-(benzofuran-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-7-yl]methyl]piperidin-1-ium-4-ol Formula: C24H30N2O3+2 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC2=CC3=C(C=C2)OCC[NH+](C3)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](CCC1O)CC2=CC3=C(C=C2)OCC[NH+](C3)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H28N2O3/c27-21-7-9-25(10-8-21)15-18-5-6-23-20(13-18)16-26(11-12-28-23)17-22-14-19-3-1-2-4-24(19)29-22/h1-6,13-14,21,27H,7-12,15-17H2/p+2