4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiadiazole-5-carboxamide CAS Name: 4-methyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-5-thiadiazolecarboxamide IUPAC Name: 4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiadiazole-5-carboxamide Traditional Name: 4-methyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]thiadiazole-5-carboxamide Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(SN=N1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C16H20N4O2S/c1-12-15(23-19-18-12)16(21)17-10-13-4-2-3-5-14(13)11-20-6-8-22-9-7-20/h2-5H,6-11H2,1H3,(H,17,21)/p+1