N-(1-adamantylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H37N4O2+ MolecularWeight: 425.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C25H36N4O2/c1-17-4-3-5-22(18(17)2)29-8-6-28(7-9-29)16-23(30)26-24(31)27-25-13-19-10-20(14-25)12-21(11-19)15-25/h3-5,19-21H,6-16H2,1-2H3,(H2,26,27,30,31)/p+1