4-[(3R)-3-phenylbutyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[(3R)-3-phenylbutyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(3R)-3-phenylbutyl]-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(3R)-3-phenylbutyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(3R)-3-phenylbutyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-[(3R)-3-phenylbutyl]-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C23H26NO2S+ MolecularWeight: 380.52304

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCOC2=C(C1)C=C(C=C2O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CC[NH+]1CCOC2=C(C1)C=C(C=C2O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H25NO2S/c1-17(18-6-3-2-4-7-18)9-10-24-11-12-26-23-20(16-24)14-19(15-21(23)25)22-8-5-13-27-22/h2-8,13-15,17,25H,9-12,16H2,1H3/p+1/t17-/m1/s1