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

Systemtic Name: 4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiadiazole-5-carboxamide CAS Name: 4-methyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-5-thiadiazolecarboxamide IUPAC Name: 4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]thiadiazole-5-carboxamide Traditional Name: 4-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]thiadiazole-5-carboxamide Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=C(SN=N1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C16H20N4OS/c1-12-15(22-19-18-12)16(21)17-10-13-4-6-14(7-5-13)11-20-8-2-3-9-20/h4-7H,2-3,8-11H2,1H3,(H,17,21)/p+1