N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)O

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C[NH+]4CCN(CC4)C5=CC=C(C=C5)O

InChI

InChI=1S/C24H35N3O2/c1-17(24-13-18-10-19(14-24)12-20(11-18)15-24)25-23(29)16-26-6-8-27(9-7-26)21-2-4-22(28)5-3-21/h2-5,17-20,28H,6-16H2,1H3,(H,25,29)/p+1/t17-,18?,19?,20?,24?/m1/s1