2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N,N-bis(phenylmethyl)ethanamide

Systemtic Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N,N-bis(phenylmethyl)ethanamide Openeye Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N,N-dibenzyl-acetamide CAS Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N,N-bis(phenylmethyl)acetamide IUPAC Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N,N-dibenzylacetamide Traditional Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N,N-dibenzyl-acetamide Formula: C27H28N3OS+ MolecularWeight: 442.59572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H27N3OS/c31-26(30(18-21-10-3-1-4-11-21)19-22-12-5-2-6-13-22)20-29-17-9-15-24(29)27-28-23-14-7-8-16-25(23)32-27/h1-8,10-14,16,24H,9,15,17-20H2/p+1/t24-/m0/s1