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

Systemtic Name: 3-methyl-1-(2-methylpropylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(isobutylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-1-(2-methylpropylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-1-(2-methylpropylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(isobutylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C17H19N4+ MolecularWeight: 279.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCC(C)C

Isomeric SMILES

CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCC(C)C

InChI

InChI=1S/C17H18N4/c1-11(2)10-19-16-8-12(3)13(9-18)17-20-14-6-4-5-7-15(14)21(16)17/h4-8,11H,10H2,1-3H3,(H,19,20)/p+1