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

Systemtic Name: 3-methyl-1-(3-methylbutylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(isopentylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-methyl-1-(3-methylbutylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-methyl-1-(3-methylbutylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(isoamylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C18H21N4+ MolecularWeight: 293.38614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4/c1-12(2)8-9-20-17-10-13(3)14(11-19)18-21-15-6-4-5-7-16(15)22(17)18/h4-7,10,12H,8-9H2,1-3H3,(H,20,21)/p+1