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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(4-chlorophenyl)methyl]-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(4-chlorophenyl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(4-chlorophenyl)methyl]-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(4-chlorobenzyl)-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C20H19ClNO2S+ MolecularWeight: 372.88836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO2S/c21-17-5-3-14(4-6-17)12-22-7-8-24-20-16(13-22)10-15(11-18(20)23)19-2-1-9-25-19/h1-6,9-11,23H,7-8,12-13H2/p+1