N-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O3/c27-21(23-22-12-16-9-17(13-22)11-18(10-16)14-22)15-24-5-7-25(8-6-24)19-1-3-20(4-2-19)26(28)29/h1-4,16-18H,5-15H2,(H,23,27)/p+1