(3R)-N-(2-cyanoethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(2-cyanoethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(2-cyanoethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(2-cyanoethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(2-cyanoethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(2-cyanoethyl)-N-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1CC2=CC=CC=C2C[NH2+]1

Isomeric SMILES

CN(CCC#N)C(=O)[C@H]1CC2=CC=CC=C2C[NH2+]1

InChI

InChI=1S/C14H17N3O/c1-17(8-4-7-15)14(18)13-9-11-5-2-3-6-12(11)10-16-13/h2-3,5-6,13,16H,4,8-10H2,1H3/p+1/t13-/m1/s1