1-(pentylamino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-(pentylamino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 3-isopropyl-1-(pentylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(pentylamino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-(pentylamino)-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-(amylamino)-3-isopropyl-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:

CCCCCNC1=[N+]2C3=CC=CC=C3NC2=C(C(=C1)C(C)C)C#N

Isomeric SMILES

CCCCCNC1=[N+]2C3=CC=CC=C3NC2=C(C(=C1)C(C)C)C#N

InChI

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