N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C23H21N4OS+ MolecularWeight: 401.50404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H20N4OS/c28-22(18-9-6-12-24-21(18)27-13-3-4-14-27)25-17-8-5-7-16(15-17)23-26-19-10-1-2-11-20(19)29-23/h1-2,5-12,15H,3-4,13-14H2,(H,25,28)/p+1