N-[2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]ethyl]adamantane-1-carboxamide Formula: C28H44N3O2+ MolecularWeight: 454.66786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H43N3O2/c32-25(27-13-19-7-20(14-27)9-21(8-19)15-27)29-1-2-30-3-5-31(6-4-30)26(33)28-16-22-10-23(17-28)12-24(11-22)18-28/h19-24H,1-18H2,(H,29,32)/p+1