2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(2-chloro-6-fluoro-benzyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Formula: C21H21ClFN4+ MolecularWeight: 383.869643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H20ClFN4/c22-19-4-3-5-20(23)18(19)15-26-10-8-25(9-11-26)13-16-14-27-7-2-1-6-21(27)17(16)12-24/h1-7,14H,8-11,13,15H2/p+1