N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1,3-benzothiazole-6-carboxamide Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H21N3OS/c24-20(15-7-8-18-19(11-15)25-14-22-18)21-12-16-5-1-2-6-17(16)13-23-9-3-4-10-23/h1-2,5-8,11,14H,3-4,9-10,12-13H2,(H,21,24)/p+1