1-[[3,5-bis(chloranyl)phenyl]amino]-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[[3,5-bis(chloranyl)phenyl]amino]-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(3,5-dichloroanilino)-3-isopropyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(3,5-dichloroanilino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(3,5-dichloroanilino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(3,5-dichloroanilino)-3-isopropyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H17Cl2N4+ MolecularWeight: 396.29248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NC4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NC4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H16Cl2N4/c1-12(2)16-10-20(25-15-8-13(22)7-14(23)9-15)27-19-6-4-3-5-18(19)26-21(27)17(16)11-24/h3-10,12H,1-2H3,(H,25,26)/p+1