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

Systemtic Name: 4-(2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium-1-yl)butan-2-one Openeye Name: 4-(2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium-1-yl)butan-2-one CAS Name: 4-(2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium-1-yl)-2-butanone IUPAC Name: 4-(2,3,5,6-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium-1-yl)butan-2-one Traditional Name: 4-(2,3,5,6-tetrahydro-1H-pyrrol[2,1-a]isoquinolin-4-ium-1-yl)butan-2-one Formula: C16H20NO+ MolecularWeight: 242.3361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20NO/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/q+1