1-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonylamino]imidazol-4-olate

Systemtic Name: 1-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonylamino]imidazol-4-olate Openeye Name: 1-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]imidazol-4-olate CAS Name: 1-methyl-2-[[oxo-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]amino]-4-imidazololate IUPAC Name: 1-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]imidazol-4-olate Traditional Name: 1-methyl-2-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]amino]imidazol-4-olate Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1NC(=O)C2CC3=CC=CC=C3C[NH2+]2)[O-]

Isomeric SMILES

CN1C=C(N=C1NC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2)[O-]

InChI

InChI=1S/C14H16N4O2/c1-18-8-12(19)16-14(18)17-13(20)11-6-9-4-2-3-5-10(9)7-15-11/h2-5,8,11,15,19H,6-7H2,1H3,(H,16,17,20)/t11-/m1/s1