N-tert-butyl-1-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-carboxamide

Systemtic Name: N-tert-butyl-1-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-carboxamide Openeye Name: N-tert-butyl-1-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-carboxamide CAS Name: N-tert-butyl-1-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole-3-carboxamide IUPAC Name: N-tert-butyl-1-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-carboxamide Traditional Name: N-tert-butyl-1-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-carboxamide Formula: C12H22N5O+ MolecularWeight: 252.33598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=NN(C=N1)C[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)NC(=O)C1=NN(C=N1)C[NH+]2CCCC2

InChI

InChI=1S/C12H21N5O/c1-12(2,3)14-11(18)10-13-8-17(15-10)9-16-6-4-5-7-16/h8H,4-7,9H2,1-3H3,(H,14,18)/p+1