2-[[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-(2,6-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Formula: C20H19Cl2N4O2S+ MolecularWeight: 450.36146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C20H18Cl2N4O2S/c21-17-4-3-5-18(22)20(17)29(27,28)26-10-8-24(9-11-26)13-15-14-25-7-2-1-6-19(25)16(15)12-23/h1-7,14H,8-11,13H2/p+1