1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]isonipecotamide Formula: C23H29N4O3S2+ MolecularWeight: 473.63136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C23H28N4O3S2/c28-23(24-16-19(20-7-5-15-31-20)26-11-3-4-12-26)17-9-13-27(14-10-17)22-18-6-1-2-8-21(18)32(29,30)25-22/h1-2,5-8,15,17,19H,3-4,9-14,16H2,(H,24,28)/p+1/t19-/m0/s1