3,5-dimethyl-1-phenyl-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile perchlorate

Systemtic Name: 3,5-dimethyl-1-phenyl-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile perchlorate Openeye Name: 3,5-dimethyl-1-phenyl-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile perchlorate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrido[1,2-a]benzimidazol-10-iumcarbonitrile perchlorate IUPAC Name: 3,5-dimethyl-1-phenylpyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile perchlorate Traditional Name: 3,5-dimethyl-1-phenyl-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile perchlorate Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=CC=CC=C3N(C2=C1C#N)C)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=[N+]2C3=CC=CC=C3N(C2=C1C#N)C)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H16N3.ClHO4/c1-14-12-19(15-8-4-3-5-9-15)23-18-11-7-6-10-17(18)22(2)20(23)16(14)13-21;2-1(3,4)5/h3-12H,1-2H3;(H,2,3,4,5)/q+1;/p-1