3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazinamide Formula: C22H22N5O2S+ MolecularWeight: 420.50738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)C5=CC=CO5

InChI

InChI=1S/C22H21N5O2S/c28-21(25-14-16(17-7-5-13-29-17)27-11-3-4-12-27)19-20(24-10-9-23-19)22-26-15-6-1-2-8-18(15)30-22/h1-2,5-10,13,16H,3-4,11-12,14H2,(H,25,28)/p+1/t16-/m1/s1