2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C16H21N5OS/c1-20-12-17-19-16(20)23-11-15(22)18-14-6-4-13(5-7-14)10-21-8-2-3-9-21/h4-7,12H,2-3,8-11H2,1H3,(H,18,22)/p+1