N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

Systemtic Name: N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-4-(thiazol-4-ylmethoxy)benzamide CAS Name: N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]-4-(4-thiazolylmethoxy)benzamide IUPAC Name: N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-(6-pyrrolidinopyridin-1-ium-3-yl)-4-(thiazol-4-ylmethoxy)benzamide Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC4=CSC=N4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC4=CSC=N4

InChI

InChI=1S/C20H20N4O2S/c25-20(23-16-5-8-19(21-11-16)24-9-1-2-10-24)15-3-6-18(7-4-15)26-12-17-13-27-14-22-17/h3-8,11,13-14H,1-2,9-10,12H2,(H,23,25)/p+1