2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)C4CC4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)C4CC4

InChI

InChI=1S/C19H25N5OS/c1-23-18(15-6-7-15)21-22-19(23)26-13-17(25)20-16-8-4-14(5-9-16)12-24-10-2-3-11-24/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3,(H,20,25)/p+1