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

Systemtic Name: 1-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Openeye Name: 1-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone CAS Name: 1-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone IUPAC Name: 1-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Traditional Name: 1-[7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethanone Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCOC2=C(C1)C=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)N1CCOC2=C(C1)C=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2O2/c1-16(24)23-10-11-25-21-7-6-17(12-20(21)15-23)13-22-9-8-18-4-2-3-5-19(18)14-22/h2-7,12H,8-11,13-15H2,1H3/p+1