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

Systemtic Name: 4-(phenylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-benzyl-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-(phenylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-benzyl-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-benzyl-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C20H20NO2S+ MolecularWeight: 338.4433

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC=CC=C3)C=C(C=C2O)C4=CC=CS4

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC=CC=C3)C=C(C=C2O)C4=CC=CS4

InChI

InChI=1S/C20H19NO2S/c22-18-12-16(19-7-4-10-24-19)11-17-14-21(8-9-23-20(17)18)13-15-5-2-1-3-6-15/h1-7,10-12,22H,8-9,13-14H2/p+1