2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]indolizine-1-carbonitrile Openeye Name: 2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile CAS Name: 2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]indolizine-1-carbonitrile Traditional Name: 2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]indolizine-1-carbonitrile Formula: C18H19N4O2S2+ MolecularWeight: 387.49906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=C2C#N)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N4O2S2/c19-12-16-15(14-21-6-2-1-4-17(16)21)13-20-7-9-22(10-8-20)26(23,24)18-5-3-11-25-18/h1-6,11,14H,7-10,13H2/p+1