N-[2-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,2,3-triazol-1-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-(4-methylpiperazin-4-ium-1-yl)carbonyl-1,2,3-triazol-1-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-triazolyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(4-methylpiperazin-4-ium-1-carbonyl)triazol-1-yl]ethyl]adamantane-1-carboxamide Formula: C21H33N6O2+ MolecularWeight: 401.52572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CN(N=N2)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CN(N=N2)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H32N6O2/c1-25-4-6-26(7-5-25)19(28)18-14-27(24-23-18)3-2-22-20(29)21-11-15-8-16(12-21)10-17(9-15)13-21/h14-17H,2-13H2,1H3,(H,22,29)/p+1