(3R)-N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(4,6-dimethyl-2-pyrimidinyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C16H19N4O+ MolecularWeight: 283.34826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)C2CC3=CC=CC=C3C[NH2+]2)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2)C

InChI

InChI=1S/C16H18N4O/c1-10-7-11(2)19-16(18-10)20-15(21)14-8-12-5-3-4-6-13(12)9-17-14/h3-7,14,17H,8-9H2,1-2H3,(H,18,19,20,21)/p+1/t14-/m1/s1