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

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H38N3O2+ MolecularWeight: 412.58812

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O2/c1-18(25-14-19-11-20(15-25)13-21(12-19)16-25)26-24(29)17-27-7-9-28(10-8-27)22-3-5-23(30-2)6-4-22/h3-6,18-21H,7-17H2,1-2H3,(H,26,29)/p+1/t18-,19?,20?,21?,25?/m1/s1