1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 3-methyl-1-(4-piperonylpiperazino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C25H24N5O2+ MolecularWeight: 426.49036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H23N5O2/c1-17-12-24(30-21-5-3-2-4-20(21)27-25(30)19(17)14-26)29-10-8-28(9-11-29)15-18-6-7-22-23(13-18)32-16-31-22/h2-7,12-13H,8-11,15-16H2,1H3/p+1