N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C19H19N3OS/c23-19(15-5-8-17-18(11-15)24-13-20-17)21-16-6-3-14(4-7-16)12-22-9-1-2-10-22/h3-8,11,13H,1-2,9-10,12H2,(H,21,23)/p+1