3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]propionamide Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CCC2=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CCC2=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C20H23N3OS2/c24-19(9-10-20-22-15-6-1-2-7-17(15)26-20)21-14-16(18-8-5-13-25-18)23-11-3-4-12-23/h1-2,5-8,13,16H,3-4,9-12,14H2,(H,21,24)/p+1/t16-/m0/s1