4-[4-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2-pyrrolidin-1-ylpyridin-1-ium-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-pyrrolidin-1-ylpyridin-1-ium-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[2-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-pyrrolidin-1-ylpyridin-1-ium-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-pyrrolidinopyridin-1-ium-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H24N5O3S+ MolecularWeight: 426.51196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H23N5O3S/c22-16-17-5-7-18(8-6-17)30(28,29)26-14-12-25(13-15-26)21(27)19-4-3-9-23-20(19)24-10-1-2-11-24/h3-9H,1-2,10-15H2/p+1