4-(6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]-2-yl)butan-2-one

Systemtic Name: 4-(6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]-2-yl)butan-2-one Openeye Name: 4-(6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]-2-yl)butan-2-one CAS Name: 4-(6,7-dimethoxy-2-spiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]yl)-2-butanone IUPAC Name: 4-(6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]-2-yl)butan-2-one Traditional Name: 4-(6,7-dimethoxyspiro[2,3-dihydro-1H-isoquinolin-2-ium-4,1'-cyclopentane]-2-yl)butan-2-one Formula: C19H28NO3+ MolecularWeight: 318.43052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC[NH+]1CC2=CC(=C(C=C2C3(C1)CCCC3)OC)OC

Isomeric SMILES

CC(=O)CC[NH+]1CC2=CC(=C(C=C2C3(C1)CCCC3)OC)OC

InChI

InChI=1S/C19H27NO3/c1-14(21)6-9-20-12-15-10-17(22-2)18(23-3)11-16(15)19(13-20)7-4-5-8-19/h10-11H,4-9,12-13H2,1-3H3/p+1