(3R)-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-[2-(2-thienyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-[2-(2-thienyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H19N2OS+ MolecularWeight: 287.39986

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NCCC3=CC=CS3

Isomeric SMILES

C1[C@@H]([NH2+]CC2=CC=CC=C21)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C16H18N2OS/c19-16(17-8-7-14-6-3-9-20-14)15-10-12-4-1-2-5-13(12)11-18-15/h1-6,9,15,18H,7-8,10-11H2,(H,17,19)/p+1/t15-/m1/s1