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

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

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCC(C)C

Isomeric SMILES

CCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCC(C)C

InChI

InChI=1S/C20H24N4/c1-5-15-14(4)16(12-21)20-23-17-8-6-7-9-18(17)24(20)19(15)22-11-10-13(2)3/h6-9,13H,5,10-11H2,1-4H3,(H,22,23)/p+1