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

Systemtic Name: 1-(3-methylbutylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-(isopentylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(3-methylbutylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(3-methylbutylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(isoamylamino)-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C20H25N4+ MolecularWeight: 321.4393

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCC(C)C

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCC(C)C

InChI

InChI=1S/C20H24N4/c1-4-7-15-12-19(22-11-10-14(2)3)24-18-9-6-5-8-17(18)23-20(24)16(15)13-21/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3,(H,22,23)/p+1