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

Systemtic Name: 1-(3-ethoxypropylamino)-3-methyl-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 2-benzyl-1-(3-ethoxypropylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-(3-ethoxypropylamino)-3-methyl-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 2-benzyl-1-(3-ethoxypropylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 2-benzyl-1-(3-ethoxypropylamino)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C25H27N4O+ MolecularWeight: 399.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC4=CC=CC=C4

Isomeric SMILES

CCOCCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O/c1-3-30-15-9-14-27-24-20(16-19-10-5-4-6-11-19)18(2)21(17-26)25-28-22-12-7-8-13-23(22)29(24)25/h4-8,10-13H,3,9,14-16H2,1-2H3,(H,27,28)/p+1