[3-tert-butyl-1-(dimethylcarbamoyl)-2-methyl-piperidin-1-ium-1-yl]-(1H-1,2,4-triazol-5-yl)carbamic acid

Systemtic Name: [3-tert-butyl-1-(dimethylcarbamoyl)-2-methyl-piperidin-1-ium-1-yl]-(1H-1,2,4-triazol-5-yl)carbamic acid Openeye Name: [3-tert-butyl-1-(dimethylcarbamoyl)-2-methyl-piperidin-1-ium-1-yl]-(1H-1,2,4-triazol-5-yl)carbamic acid CAS Name: [3-tert-butyl-1-[dimethylamino(oxo)methyl]-2-methyl-1-piperidin-1-iumyl]-(1H-1,2,4-triazol-5-yl)carbamic acid IUPAC Name: [3-tert-butyl-1-(dimethylcarbamoyl)-2-methylpiperidin-1-ium-1-yl]-(1H-1,2,4-triazol-5-yl)carbamic acid Traditional Name: [3-tert-butyl-1-(dimethylcarbamoyl)-2-methyl-piperidin-1-ium-1-yl]-(1H-1,2,4-triazol-5-yl)carbamic acid Formula: C16H29N6O3+ MolecularWeight: 353.43986

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC[N+]1(C(=O)N(C)C)N(C2=NC=NN2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1C(CCC[N+]1(C(=O)N(C)C)N(C2=NC=NN2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C16H28N6O3/c1-11-12(16(2,3)4)8-7-9-22(11,14(23)20(5)6)21(15(24)25)13-17-10-18-19-13/h10-12H,7-9H2,1-6H3,(H-,17,18,19,24,25)/p+1