2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]indolizine-1-carbonitrile Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c21-14-19-17(16-23-9-5-4-8-20(19)23)15-22-10-12-24(13-11-22)27(25,26)18-6-2-1-3-7-18/h1-9,16H,10-13,15H2/p+1