3-[4-(2-methylpropyl)-1-(morpholin-4-ium-4-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-(2-methylpropyl)-1-(morpholin-4-ium-4-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-isobutyl-1-(morpholin-4-ium-4-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-(2-methylpropyl)-1-(4-morpholin-4-iumylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-(2-methylpropyl)-1-(morpholin-4-ium-4-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-isobutyl-1-(morpholin-4-ium-4-ylmethyl)-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C14H26N5O2S+ MolecularWeight: 328.45354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN(C1=S)C[NH+]2CCOCC2)CCC(=O)N

Isomeric SMILES

CC(C)CN1C(=NN(C1=S)C[NH+]2CCOCC2)CCC(=O)N

InChI

InChI=1S/C14H25N5O2S/c1-11(2)9-18-13(4-3-12(15)20)16-19(14(18)22)10-17-5-7-21-8-6-17/h11H,3-10H2,1-2H3,(H2,15,20)/p+1