2-butyl-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-butyl-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-butyl-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-3-methyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-butyl-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-butyl-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H29N6+ MolecularWeight: 425.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H28N6/c1-3-4-9-20-19(2)21(18-27)25-29-22-10-5-6-11-23(22)32(25)26(20)31-16-14-30(15-17-31)24-12-7-8-13-28-24/h5-8,10-13H,3-4,9,14-17H2,1-2H3/p+1