1-[4-(3-azanylspiro[1H-isoquinolin-2-ium-4,4'-oxane]-2-yl)phenyl]ethanone bromide

Systemtic Name: 1-[4-(3-azanylspiro[1H-isoquinolin-2-ium-4,4'-oxane]-2-yl)phenyl]ethanone bromide Openeye Name: 1-[4-(3-aminospiro[1H-isoquinolin-2-ium-4,4'-tetrahydropyran]-2-yl)phenyl]ethanone bromide CAS Name: 1-[4-(3-amino-2-spiro[1H-isoquinolin-2-ium-4,4'-oxane]yl)phenyl]ethanone bromide IUPAC Name: 1-[4-(3-aminospiro[1H-isoquinolin-2-ium-4,4'-oxane]-2-yl)phenyl]ethanone bromide Traditional Name: 1-[4-(3-aminospiro[1H-isoquinolin-2-ium-4,4'-tetrahydropyran]-2-yl)phenyl]ethanone bromide Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)[N+]2=C(C3(CCOCC3)C4=CC=CC=C4C2)N.[Br-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)[N+]2=C(C3(CCOCC3)C4=CC=CC=C4C2)N.[Br-]

InChI

InChI=1S/C21H22N2O2.BrH/c1-15(24)16-6-8-18(9-7-16)23-14-17-4-2-3-5-19(17)21(20(23)22)10-12-25-13-11-21;/h2-9,22H,10-14H2,1H3;1H