1-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[2-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazin-1-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide Formula: C18H33N6O2+ MolecularWeight: 365.49362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)CC[NH+]2CCN(CC2)C(=O)CC(C)(C)C

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)CC[NH+]2CCN(CC2)C(=O)CC(C)(C)C

InChI

InChI=1S/C18H32N6O2/c1-14(2)19-17(26)15-13-24(21-20-15)11-8-22-6-9-23(10-7-22)16(25)12-18(3,4)5/h13-14H,6-12H2,1-5H3,(H,19,26)/p+1