2-butyl-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-butyl-1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-butyl-1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-butyl-1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-butyl-1-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H33FN5O+ MolecularWeight: 486.603623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC(=C(C=C5)OC)F

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CC5=CC(=C(C=C5)OC)F

InChI

InChI=1S/C29H32FN5O/c1-4-5-8-22-20(2)23(18-31)28-32-25-9-6-7-10-26(25)35(28)29(22)34-15-13-33(14-16-34)19-21-11-12-27(36-3)24(30)17-21/h6-7,9-12,17H,4-5,8,13-16,19H2,1-3H3/p+1