4-(quinoxalin-6-ylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-(quinoxalin-6-ylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-(quinoxalin-6-ylmethyl)-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-(6-quinoxalinylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-(quinoxalin-6-ylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(quinoxalin-6-ylmethyl)-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C22H20N3O2S+ MolecularWeight: 390.4781

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC4=NC=CN=C4C=C3)C=C(C=C2O)C5=CC=CS5

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC4=NC=CN=C4C=C3)C=C(C=C2O)C5=CC=CS5

InChI

InChI=1S/C22H19N3O2S/c26-20-12-16(21-2-1-9-28-21)11-17-14-25(7-8-27-22(17)20)13-15-3-4-18-19(10-15)24-6-5-23-18/h1-6,9-12,26H,7-8,13-14H2/p+1