4-[(2Z)-2-[1-(2-adamantyl)-1,3-dimethyl-5-oxidanylidene-4,4-dipyridin-4-yl-imidazolidin-1-ium-2-ylidene]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2Z)-2-[1-(2-adamantyl)-1,3-dimethyl-5-oxidanylidene-4,4-dipyridin-4-yl-imidazolidin-1-ium-2-ylidene]ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2Z)-2-[1-(2-adamantyl)-1,3-dimethyl-5-oxo-4,4-bis(4-pyridyl)imidazolidin-1-ium-2-ylidene]acetyl]benzonitrile CAS Name: 4-[(2Z)-2-[1-(2-adamantyl)-1,3-dimethyl-5-oxo-4,4-dipyridin-4-yl-2-imidazolidin-1-iumylidene]-1-oxoethyl]benzonitrile IUPAC Name: 4-[(2Z)-2-[1-(2-adamantyl)-1,3-dimethyl-5-oxo-4,4-dipyridin-4-ylimidazolidin-1-ium-2-ylidene]acetyl]benzonitrile Traditional Name: 4-[(2Z)-2-[1-(2-adamantyl)-5-keto-1,3-dimethyl-4,4-bis(4-pyridyl)imidazolidin-1-ium-2-ylidene]acetyl]benzonitrile Formula: C34H34N5O2+ MolecularWeight: 544.66606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)C2=CC=C(C=C2)C#N)[N+](C(=O)C1(C3=CC=NC=C3)C4=CC=NC=C4)(C)C5C6CC7CC(C6)CC5C7

Isomeric SMILES

CN1/C(=C/C(=O)C2=CC=C(C=C2)C#N)/[N+](C(=O)C1(C3=CC=NC=C3)C4=CC=NC=C4)(C)C5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C34H34N5O2/c1-38-31(20-30(40)25-5-3-22(21-35)4-6-25)39(2,32-26-16-23-15-24(18-26)19-27(32)17-23)33(41)34(38,28-7-11-36-12-8-28)29-9-13-37-14-10-29/h3-14,20,23-24,26-27,32H,15-19H2,1-2H3/q+1/b31-20-