3-ethyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-ethyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methylamino]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methylamino]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H28N7+ MolecularWeight: 426.53672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=CN=C(C=C4)N5CC[NH+](CC5)C)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=CN=C(C=C4)N5CC[NH+](CC5)C)C#N

InChI

InChI=1S/C25H27N7/c1-3-19-14-24(32-22-7-5-4-6-21(22)29-25(32)20(19)15-26)28-17-18-8-9-23(27-16-18)31-12-10-30(2)11-13-31/h4-9,14,16,28H,3,10-13,17H2,1-2H3/p+1