quinolin-6-yl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: quinolin-6-yl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: 6-quinolyl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: 6-quinolinyl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: quinolin-6-yl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: 6-quinolyl-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C29H28N3O2+ MolecularWeight: 450.55152

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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=CC6=C(C=C5)N=CC=C6

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC4=C(C=C3)OCCN(C4)C(=O)C5=CC6=C(C=C5)N=CC=C6

InChI

InChI=1S/C29H27N3O2/c33-29(24-8-9-27-23(17-24)6-3-12-30-27)32-14-15-34-28-10-7-21(16-26(28)20-32)18-31-13-11-22-4-1-2-5-25(22)19-31/h1-10,12,16-17H,11,13-15,18-20H2/p+1