(3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(4-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(4-pyridylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H18N3O+ MolecularWeight: 268.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1[C@@H]([NH2+]CC2=CC=CC=C21)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C16H17N3O/c20-16(19-10-12-5-7-17-8-6-12)15-9-13-3-1-2-4-14(13)11-18-15/h1-8,15,18H,9-11H2,(H,19,20)/p+1/t15-/m1/s1