2-[4-[(3R)-1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3R)-1-methyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3R)-1-methyl-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3R)-1-methyl-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3R)-2,5-diketo-1-methyl-pyrrolidin-3-yl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C16H19N4O4S+ MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN1C(=O)C[C@H](C1=O)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H18N4O4S/c1-18-15(21)10-13(16(18)22)19-6-8-20(9-7-19)25(23,24)14-5-3-2-4-12(14)11-17/h2-5,13H,6-10H2,1H3/p+1/t13-/m1/s1