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

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butanamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butanamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyramide Formula: C25H37N4O2+ MolecularWeight: 425.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H36N4O2/c1-18(25-15-19-12-20(16-25)14-21(13-19)17-25)27-23(30)5-6-24(31)29-10-8-28(9-11-29)22-4-2-3-7-26-22/h2-4,7,18-21H,5-6,8-17H2,1H3,(H,27,30)/p+1/t18-,19?,20?,21?,25?/m1/s1