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

Systemtic Name: 1-[2-[4-(2-cyclohexylethanoyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[4-(2-cyclohexylacetyl)piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[2-[4-(2-cyclohexyl-1-oxoethyl)-1-piperazin-1-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-(2-cyclohexylacetyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[2-[4-(2-cyclohexylacetyl)piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide Formula: C20H35N6O2+ MolecularWeight: 391.5309

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)CC3CCCCC3

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)CC[NH+]2CCN(CC2)C(=O)CC3CCCCC3

InChI

InChI=1S/C20H34N6O2/c1-16(2)21-20(28)18-15-26(23-22-18)13-10-24-8-11-25(12-9-24)19(27)14-17-6-4-3-5-7-17/h15-17H,3-14H2,1-2H3,(H,21,28)/p+1