2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(3,4-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=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

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