[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiophen-2-yl-methanone

Systemtic Name: [7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiophen-2-yl-methanone Openeye Name: [7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-thienyl)methanone CAS Name: [7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiophen-2-ylmethanone IUPAC Name: [7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiophen-2-ylmethanone Traditional Name: [7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-thienyl)methanone Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC4=C(C=C3)OCCN(C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC4=C(C=C3)OCCN(C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H24N2O2S/c27-24(23-6-3-13-29-23)26-11-12-28-22-8-7-18(14-21(22)17-26)15-25-10-9-19-4-1-2-5-20(19)16-25/h1-8,13-14H,9-12,15-17H2/p+1