(2R)-N-(1-adamantylcarbamoyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(1-adamantylcarbamoyl)propanamide CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-N-[(1-adamantylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(1-adamantylcarbamoyl)propanamide Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(1-adamantylcarbamoyl)propionamide Formula: C20H33N4O3+ MolecularWeight: 377.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C(=O)C

InChI

InChI=1S/C20H32N4O3/c1-13(23-3-5-24(6-4-23)14(2)25)18(26)21-19(27)22-20-10-15-7-16(11-20)9-17(8-15)12-20/h13,15-17H,3-12H2,1-2H3,(H2,21,22,26,27)/p+1/t13-,15?,16?,17?,20?/m1/s1