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

Systemtic Name: 1-[2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[2-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide Formula: C23H37N6O2+ MolecularWeight: 429.57888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)CC[NH+]2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)CC[NH+]2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H36N6O2/c1-16(2)24-21(30)20-15-29(26-25-20)8-5-27-3-6-28(7-4-27)22(31)23-12-17-9-18(13-23)11-19(10-17)14-23/h15-19H,3-14H2,1-2H3,(H,24,30)/p+1