(2S)-2-(6,7-dimethoxycinnolin-4-yl)-2-(5,5-dimethyl-3-propan-2-yl-1,4-dihydroimidazol-3-ium-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(6,7-dimethoxycinnolin-4-yl)-2-(5,5-dimethyl-3-propan-2-yl-1,4-dihydroimidazol-3-ium-2-yl)ethanenitrile Openeye Name: (2S)-2-(6,7-dimethoxycinnolin-4-yl)-2-(3-isopropyl-5,5-dimethyl-1,4-dihydroimidazol-3-ium-2-yl)acetonitrile CAS Name: (2S)-2-(6,7-dimethoxy-4-cinnolinyl)-2-(5,5-dimethyl-3-propan-2-yl-1,4-dihydroimidazol-3-ium-2-yl)acetonitrile IUPAC Name: (2S)-2-(6,7-dimethoxycinnolin-4-yl)-2-(5,5-dimethyl-3-propan-2-yl-1,4-dihydroimidazol-3-ium-2-yl)acetonitrile Traditional Name: (2S)-2-(6,7-dimethoxycinnolin-4-yl)-2-(1-isopropyl-4,4-dimethyl-2-imidazolin-1-ium-2-yl)acetonitrile Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(NC(C1)(C)C)C(C#N)C2=CN=NC3=CC(=C(C=C32)OC)OC

Isomeric SMILES

CC(C)[N+]1=C(NC(C1)(C)C)[C@H](C#N)C2=CN=NC3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C20H25N5O2/c1-12(2)25-11-20(3,4)23-19(25)14(9-21)15-10-22-24-16-8-18(27-6)17(26-5)7-13(15)16/h7-8,10,12,14H,11H2,1-6H3/p+1/t14-/m1/s1