N-[3-(1,3-benzothiazol-3-ium-2-yl)phenyl]-4-morpholin-4-yl-pyridine-2-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-3-ium-2-yl)phenyl]-4-morpholin-4-yl-pyridine-2-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-3-ium-2-yl)phenyl]-4-morpholino-pyridine-2-carboxamide CAS Name: N-[3-(1,3-benzothiazol-3-ium-2-yl)phenyl]-4-(4-morpholinyl)-2-pyridinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-3-ium-2-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-3-ium-2-yl)phenyl]-4-morpholino-picolinamide Formula: C23H21N4O2S+ MolecularWeight: 417.50344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC=C2)C(=O)NC3=CC=CC(=C3)C4=[NH+]C5=CC=CC=C5S4

Isomeric SMILES

C1COCCN1C2=CC(=NC=C2)C(=O)NC3=CC=CC(=C3)C4=[NH+]C5=CC=CC=C5S4

InChI

InChI=1S/C23H20N4O2S/c28-22(20-15-18(8-9-24-20)27-10-12-29-13-11-27)25-17-5-3-4-16(14-17)23-26-19-6-1-2-7-21(19)30-23/h1-9,14-15H,10-13H2,(H,25,28)/p+1