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

Systemtic Name: 4-(naphthalen-2-ylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-(2-naphthylmethyl)-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-(2-naphthalenylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-(naphthalen-2-ylmethyl)-7-thiophen-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(2-naphthylmethyl)-7-(2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C24H22NO2S+ MolecularWeight: 388.50198

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC4=CC=CC=C4C=C3)C=C(C=C2O)C5=CC=CS5

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC4=CC=CC=C4C=C3)C=C(C=C2O)C5=CC=CS5

InChI

InChI=1S/C24H21NO2S/c26-22-14-20(23-6-3-11-28-23)13-21-16-25(9-10-27-24(21)22)15-17-7-8-18-4-1-2-5-19(18)12-17/h1-8,11-14,26H,9-10,15-16H2/p+1