(3R)-N-butyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-butyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-butyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-butyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-butyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-butyl-N-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)C1CC2=CC=CC=C2C[NH2+]1

Isomeric SMILES

CCCCN(CC)C(=O)[C@H]1CC2=CC=CC=C2C[NH2+]1

InChI

InChI=1S/C16H24N2O/c1-3-5-10-18(4-2)16(19)15-11-13-8-6-7-9-14(13)12-17-15/h6-9,15,17H,3-5,10-12H2,1-2H3/p+1/t15-/m1/s1