(3R)-N-(4-methylpyridin-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(4-methylpyridin-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(4-methyl-2-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(4-methylpyridin-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(4-methyl-2-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H18N3O+ MolecularWeight: 268.33362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C16H17N3O/c1-11-6-7-17-15(8-11)19-16(20)14-9-12-4-2-3-5-13(12)10-18-14/h2-8,14,18H,9-10H2,1H3,(H,17,19,20)/p+1/t14-/m1/s1