1-[(4-ethylphenyl)amino]-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[(4-ethylphenyl)amino]-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(4-ethylanilino)-2-isopentyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(4-ethylanilino)-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(4-ethylanilino)-3-methyl-2-(3-methylbutyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(4-ethylanilino)-2-isoamyl-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C26H29N4+ MolecularWeight: 397.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=C(C3=[N+]2C4=CC=CC=C4N3)C#N)C)CCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=C(C3=[N+]2C4=CC=CC=C4N3)C#N)C)CCC(C)C

InChI

InChI=1S/C26H28N4/c1-5-19-11-13-20(14-12-19)28-25-21(15-10-17(2)3)18(4)22(16-27)26-29-23-8-6-7-9-24(23)30(25)26/h6-9,11-14,17H,5,10,15H2,1-4H3,(H,28,29)/p+1