2-[[5-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrrol-2-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[5-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrrol-2-yl]methylidene]propanedinitrile Openeye Name: 2-[[5-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrrol-2-yl]methylene]propanedinitrile CAS Name: 2-[[5-[[4-(4-chlorophenyl)-1-piperazin-1-iumyl]methyl]-1H-pyrrol-2-yl]methylidene]propanedinitrile IUPAC Name: 2-[[5-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrrol-2-yl]methylidene]propanedinitrile Traditional Name: 2-[[5-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]-1H-pyrrol-2-yl]methylene]malononitrile Formula: C19H19ClN5+ MolecularWeight: 352.84066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(N2)C=C(C#N)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(N2)C=C(C#N)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN5/c20-16-1-5-19(6-2-16)25-9-7-24(8-10-25)14-18-4-3-17(23-18)11-15(12-21)13-22/h1-6,11,23H,7-10,14H2/p+1