(2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl chloride

Systemtic Name: (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl chloride Openeye Name: (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl chloride CAS Name: (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl chloride IUPAC Name: (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoyl chloride Traditional Name: (2S)-3-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyryl chloride Formula: C14H19ClNO+ MolecularWeight: 252.75976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)Cl)[NH+]1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C)[C@@H](C(=O)Cl)[NH+]1CCC2=CC=CC=C2C1

InChI

InChI=1S/C14H18ClNO/c1-10(2)13(14(15)17)16-8-7-11-5-3-4-6-12(11)9-16/h3-6,10,13H,7-9H2,1-2H3/p+1/t13-/m0/s1