N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H36N4O+2 MolecularWeight: 384.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H34N4O/c1-17(23-13-18-10-19(14-23)12-20(11-18)15-23)25-22(28)16-26-6-8-27(9-7-26)21-4-2-3-5-24-21/h2-5,17-20H,6-16H2,1H3,(H,25,28)/p+2/t17-,18?,19?,20?,23?/m1/s1