4-[[(1S)-cyclohex-3-en-1-yl]methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[[(1S)-cyclohex-3-en-1-yl]methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[[(1S)-cyclohex-3-en-1-yl]methyl]-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[[(1S)-1-cyclohex-3-enyl]methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[[(1S)-cyclohex-3-en-1-yl]methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[[(1S)-cyclohex-3-en-1-yl]methyl]-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C20H24NO2S+ MolecularWeight: 342.47506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](CC=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CS4

InChI

InChI=1S/C20H23NO2S/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/h1-2,4,7,10-12,15,22H,3,5-6,8-9,13-14H2/p+1/t15-/m1/s1