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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-cyclohexyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-cyclohexyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-cyclohexyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-cyclohexyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-cyclohexyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C22H25N2O2S+ MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H24N2O2S/c25-19-13-15(22-23-18-8-4-5-9-20(18)27-22)12-16-14-24(10-11-26-21(16)19)17-6-2-1-3-7-17/h4-5,8-9,12-13,17,25H,1-3,6-7,10-11,14H2/p+1