N-(1-adamantylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5O

InChI

InChI=1S/C23H32N4O3/c28-20-4-2-1-3-19(20)27-7-5-26(6-8-27)15-21(29)24-22(30)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,28H,5-15H2,(H2,24,25,29,30)/p+1