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

Systemtic Name: 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 1-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 1-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C26H28FN5+2 MolecularWeight: 429.532423

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC5=CC=C(C=C5)F

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)N4CC[NH+](CC4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C26H26FN5/c1-2-5-20-16-25(32-24-7-4-3-6-23(24)29-26(32)22(20)17-28)31-14-12-30(13-15-31)18-19-8-10-21(27)11-9-19/h3-4,6-11,16H,2,5,12-15,18H2,1H3/p+2