N-(2-morpholin-4-ium-4-ylidene-3H-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-yl-pyridine-3-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylidene-3H-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-yl-pyridine-3-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylidene-3H-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-yl-pyridine-3-carboxamide CAS Name: N-[2-(4-morpholin-4-iumylidene)-3H-1,3-benzothiazol-6-yl]-2-(1-pyrrolidinyl)-3-pyridinecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylidene-3H-1,3-benzothiazol-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylidene-3H-1,3-benzothiazol-6-yl)-2-pyrrolidino-nicotinamide Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)NC(=[N+]5CCOCC5)S4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)NC(=[N+]5CCOCC5)S4

InChI

InChI=1S/C21H23N5O2S/c27-20(16-4-3-7-22-19(16)25-8-1-2-9-25)23-15-5-6-17-18(14-15)29-21(24-17)26-10-12-28-13-11-26/h3-7,14H,1-2,8-13H2,(H,23,27)/p+1