3-methoxy-N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-methoxy-N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-methoxy-N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-methoxy-N-[5-[2-(4-morpholin-4-iumyl)ethyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-methoxy-N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-methoxy-N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CC[NH+]3CCOCC3

InChI

InChI=1S/C16H20N4O3S/c1-22-13-4-2-3-12(11-13)15(21)17-16-19-18-14(24-16)5-6-20-7-9-23-10-8-20/h2-4,11H,5-10H2,1H3,(H,17,19,21)/p+1