2-[4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H25N4O3S2+ MolecularWeight: 445.5782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=CC=CS4

InChI

InChI=1S/C21H24N4O3S2/c22-15-17-5-1-2-8-20(17)30(27,28)25-12-10-23(11-13-25)21(26)16-24-9-3-6-18(24)19-7-4-14-29-19/h1-2,4-5,7-8,14,18H,3,6,9-13,16H2/p+1/t18-/m0/s1