4-(2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium-1-yl)butan-2-one iodide

Systemtic Name: 4-(2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium-1-yl)butan-2-one iodide Openeye Name: 4-(2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium-1-yl)butan-2-one iodide CAS Name: 4-(2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium-1-yl)-2-butanone iodide IUPAC Name: 4-(2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium-1-yl)butan-2-one iodide Traditional Name: 4-(2,3,5,6-tetrahydro-1H-pyrrol[2,1-a]isoquinolin-4-ium-1-yl)butan-2-one iodide Formula: C16H20INO MolecularWeight: 369.24057

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1CC[N+]2=C1C3=CC=CC=C3CC2.[I-]

Isomeric SMILES

CC(=O)CCC1CC[N+]2=C1C3=CC=CC=C3CC2.[I-]

InChI

InChI=1S/C16H20NO.HI/c1-12(18)6-7-14-9-11-17-10-8-13-4-2-3-5-15(13)16(14)17;/h2-5,14H,6-11H2,1H3;1H/q+1;/p-1