1-butyl-2-oxidanylidene-5,6,7,8-tetrahydro-1H-isoquinolin-2-ium-3-carboxylic acid

Systemtic Name: 1-butyl-2-oxidanylidene-5,6,7,8-tetrahydro-1H-isoquinolin-2-ium-3-carboxylic acid Openeye Name: 1-butyl-2-oxo-5,6,7,8-tetrahydro-1H-isoquinolin-2-ium-3-carboxylic acid CAS Name: 1-butyl-2-oxo-5,6,7,8-tetrahydro-1H-isoquinolin-2-ium-3-carboxylic acid IUPAC Name: 1-butyl-2-oxo-5,6,7,8-tetrahydro-1H-isoquinolin-2-ium-3-carboxylic acid Traditional Name: 1-butyl-2-keto-5,6,7,8-tetrahydro-1H-isoquinolin-2-ium-3-carboxylic acid Formula: C14H20NO3+ MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(CCCC2)C=C([N+]1=O)C(=O)O

Isomeric SMILES

CCCCC1C2=C(CCCC2)C=C([N+]1=O)C(=O)O

InChI

InChI=1S/C14H19NO3/c1-2-3-8-12-11-7-5-4-6-10(11)9-13(14(16)17)15(12)18/h9,12H,2-8H2,1H3/p+1