3-[2-[(3aR,7aR)-3a,7a-dihydro-1H-benzimidazol-3-ium-2-yl]-4-methyl-phenoxy]benzene-1,2-dicarbonitrile

Systemtic Name: 3-[2-[(3aR,7aR)-3a,7a-dihydro-1H-benzimidazol-3-ium-2-yl]-4-methyl-phenoxy]benzene-1,2-dicarbonitrile Openeye Name: 3-[2-[(3aR,7aR)-3a,7a-dihydro-1H-benzimidazol-3-ium-2-yl]-4-methyl-phenoxy]phthalonitrile CAS Name: 3-[2-[(3aR,7aR)-3a,7a-dihydro-1H-benzimidazol-3-ium-2-yl]-4-methylphenoxy]benzene-1,2-dicarbonitrile IUPAC Name: 3-[2-[(3aR,7aR)-3a,7a-dihydro-1H-benzimidazol-3-ium-2-yl]-4-methylphenoxy]benzene-1,2-dicarbonitrile Traditional Name: 3-[2-[(3aR,7aR)-3a,7a-dihydro-1H-benzimidazol-3-ium-2-yl]-4-methyl-phenoxy]phthalonitrile Formula: C22H17N4O+ MolecularWeight: 353.39658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC=CC(=C2C#N)C#N)C3=[NH+]C4C=CC=CC4N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC=CC(=C2C#N)C#N)C3=[NH+][C@@H]4C=CC=C[C@H]4N3

InChI

InChI=1S/C22H16N4O/c1-14-9-10-21(27-20-8-4-5-15(12-23)17(20)13-24)16(11-14)22-25-18-6-2-3-7-19(18)26-22/h2-11,18-19H,1H3,(H,25,26)/p+1/t18-,19-/m1/s1