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

Systemtic Name: 3-propyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-propyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-propyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-propyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-propyl-1-(4-pyridin-1-ium-2-ylpiperazino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C24H25N6+ MolecularWeight: 397.4955

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C5=CC=CC=[NH+]5)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C5=CC=CC=[NH+]5)C#N

InChI

InChI=1S/C24H24N6/c1-2-7-18-16-23(29-14-12-28(13-15-29)22-10-5-6-11-26-22)30-21-9-4-3-8-20(21)27-24(30)19(18)17-25/h3-6,8-11,16H,2,7,12-15H2,1H3/p+1